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emical database
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Cas Number
EINECS Number
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Smiles
Journal Title
GO
Synthesis (journal) - 4561 compounds - page 42
ethyl chloro(4-nitrophenyl)acetate
Molecular Formula:
C
10
H
10
ClNO
4
Molecular Weight:
243.646 g/mol
Cas Number:
-
EINECS Number:
-
ethyl chloro(4-ethoxy-5-nitro-2-pyridinyl)acetate
Molecular Formula:
C
11
H
13
ClN
2
O
5
Molecular Weight:
288.687 g/mol
Cas Number:
-
EINECS Number:
-
ethyl chloro(5-chloro-2-nitrophenyl)acetate
Molecular Formula:
C
10
H
9
Cl
2
NO
4
Molecular Weight:
278.091 g/mol
Cas Number:
-
EINECS Number:
-
ethyl chloro(6-methoxy-3-nitro-2-pyridinyl)acetate
Molecular Formula:
C
10
H
11
ClN
2
O
5
Molecular Weight:
274.661 g/mol
Cas Number:
-
EINECS Number:
-
ethyl (4-nitrophenyl)(oxo)acetate
Molecular Formula:
C
10
H
9
NO
5
Molecular Weight:
223.185 g/mol
Cas Number:
70091-75-7
EINECS Number:
-
(2E)-2-(hydroxymethyl)-3-phenyl-2-propenoic acid
Molecular Formula:
C
10
H
10
O
3
Molecular Weight:
178.188 g/mol
Cas Number:
-
EINECS Number:
-
(3E)-3-benzylidene-2-oxetanone
Molecular Formula:
C
10
H
8
O
2
Molecular Weight:
160.172 g/mol
Cas Number:
-
EINECS Number:
-
methyl 4-[(1E,3E)-4-phenyl-1,3-butadienyl]phenyl ether
Molecular Formula:
C
17
H
16
O
Molecular Weight:
236.313 g/mol
Cas Number:
-
EINECS Number:
-
2,4-dimethyl-6-phenylpyrimidine
Molecular Formula:
C
12
H
12
N
2
Molecular Weight:
184.241 g/mol
Cas Number:
-
EINECS Number:
-
3-chloro-2-phenylsulfanylpropanal
Molecular Formula:
C
9
H
9
ClOS
Molecular Weight:
200.689 g/mol
Cas Number:
-
EINECS Number:
-
2-neopentylideneadamantane
Molecular Formula:
C
15
H
24
Molecular Weight:
204.356 g/mol
Cas Number:
-
EINECS Number:
-
5-amino-1-phenylmethoxyimidazole-4-carboxamide
Molecular Formula:
C
11
H
12
N
4
O
2
Molecular Weight:
232.242 g/mol
Cas Number:
-
EINECS Number:
-
[2-(cyclohexylamino)-1-cyclopenten-1-yl](phenyl)methanone
Molecular Formula:
C
18
H
23
NO
Molecular Weight:
269.387 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 2-hydroxycyclohexanecarboxylate
Molecular Formula:
C
9
H
16
O
3
Molecular Weight:
172.224 g/mol
Cas Number:
3444-72-2
EINECS Number:
-
3,5-dichloro-6-(chloromethyl)-2H-1,4-oxazin-2-one
Molecular Formula:
C
5
H
2
Cl
3
NO
2
Molecular Weight:
214.435 g/mol
Cas Number:
-
EINECS Number:
-
2-phenyl-4H-1,4-benzothiazin-3-one
Molecular Formula:
C
14
H
11
NOS
Molecular Weight:
241.313 g/mol
Cas Number:
38533-19-6
EINECS Number:
-
2-ethyl-6-phenyl-1,5,2-dioxazinane
Molecular Formula:
C
11
H
15
NO
2
Molecular Weight:
193.246 g/mol
Cas Number:
-
EINECS Number:
-
methyl 2-pyrazinecarboxylate 4-oxide
Molecular Formula:
C
6
H
6
N
2
O
3
Molecular Weight:
154.125 g/mol
Cas Number:
-
EINECS Number:
-
4-(1-methyl-1-phenyl-2-propynyl)morpholine
Molecular Formula:
C
14
H
17
NO
Molecular Weight:
215.295 g/mol
Cas Number:
-
EINECS Number:
-
diethoxyphosphoryl-methylsulfinyl-benzene
Molecular Formula:
C
11
H
17
O
4
PS
Molecular Weight:
276.293 g/mol
Cas Number:
-
EINECS Number:
-
1-nitro-dibenzofuran
Molecular Formula:
C
12
H
7
NO
3
Molecular Weight:
213.193 g/mol
Cas Number:
87812-99-5
EINECS Number:
-
1,3-diacetyl-2,3-dihydro-1H-imidazole
Molecular Formula:
C
7
H
10
N
2
O
2
Molecular Weight:
154.169 g/mol
Cas Number:
-
EINECS Number:
-
(3E)-3-(4-chlorobenzylidene)-4-methyl-1,4-pentanediol
Molecular Formula:
C
13
H
17
ClO
2
Molecular Weight:
240.729 g/mol
Cas Number:
-
EINECS Number:
-
(3E)-3-(4-chlorobenzylidene)-2,2-dimethyltetrahydrofuran
Molecular Formula:
C
13
H
15
ClO
Molecular Weight:
222.714 g/mol
Cas Number:
-
EINECS Number:
-
4-chloro-2-dimethylamino-6-keto-1,3-oxazine-5-carbonitrile
Molecular Formula:
C
7
H
6
ClN
3
O
2
Molecular Weight:
199.596 g/mol
Cas Number:
-
EINECS Number:
-
1-bromo-1-hexyne
Molecular Formula:
C
6
H
9
Br
Molecular Weight:
161.041 g/mol
Cas Number:
1119-64-8
EINECS Number:
-
2-(1,3-dithiolan-2-ylidene-phenylmethyl)pyridine
Molecular Formula:
C
15
H
13
NS
2
Molecular Weight:
271.407 g/mol
Cas Number:
-
EINECS Number:
-
methyl 6-methyl-2-oxo-3-cyclohexene-1-carboxylate
Molecular Formula:
C
9
H
12
O
3
Molecular Weight:
168.192 g/mol
Cas Number:
-
EINECS Number:
-
2-(cyanomethyl-octylamino)pentanenitrile
Molecular Formula:
C
15
H
27
N
3
Molecular Weight:
249.4 g/mol
Cas Number:
-
EINECS Number:
-
1,1,3-trichloro-2-nonanone
Molecular Formula:
C
9
H
15
Cl
3
O
Molecular Weight:
245.576 g/mol
Cas Number:
-
EINECS Number:
-
3-hydroxy-1,2,3-benzotriazin-4-one
Molecular Formula:
C
7
H
5
N
3
O
2
Molecular Weight:
163.136 g/mol
Cas Number:
28230-32-2
EINECS Number:
248-916-1
2-methyl-7-propyl-1,6-dioxaspiro[4.4]nonane
Molecular Formula:
C
11
H
20
O
2
Molecular Weight:
184.279 g/mol
Cas Number:
-
EINECS Number:
-
N-(4-chlorophenyl)-3-methoxy-1,2,4-thiadiazol-5-amine
Molecular Formula:
C
9
H
8
ClN
3
OS
Molecular Weight:
241.701 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-2-tridecenal
Molecular Formula:
C
13
H
24
O
Molecular Weight:
196.333 g/mol
Cas Number:
7069-41-2
EINECS Number:
231-883-2
2-phenyl-8-thia-1,2,4-triazaspiro[4.5]decan-3-one
Molecular Formula:
C
12
H
15
N
3
OS
Molecular Weight:
249.337 g/mol
Cas Number:
-
EINECS Number:
-
4-ethyl-3,5-dimethyl-1,5-dihydro-2H-pyrrol-2-one
Molecular Formula:
C
8
H
13
NO
Molecular Weight:
139.197 g/mol
Cas Number:
-
EINECS Number:
-
(5E)-5-(bromomethylene)-4-ethyl-3-methyl-1,5-dihydro-2H-pyrrol-2-one
Molecular Formula:
C
8
H
10
BrNO
Molecular Weight:
216.078 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 4-acetyl-5-oxohexanoate
Molecular Formula:
C
10
H
16
O
4
Molecular Weight:
200.235 g/mol
Cas Number:
2832-10-2
EINECS Number:
-
1-(3-chloropropoxy)-4-nitrobenzene
Molecular Formula:
C
9
H
10
ClNO
3
Molecular Weight:
215.636 g/mol
Cas Number:
79096-54-1
EINECS Number:
-
3-hydroxy-3,5,5-trimethyloxolan-2-one
Molecular Formula:
C
7
H
12
O
3
Molecular Weight:
144.17 g/mol
Cas Number:
-
EINECS Number:
-
1,8-dimethoxyanthra-9,10-quinone
Molecular Formula:
C
16
H
12
O
4
Molecular Weight:
268.269 g/mol
Cas Number:
6407-55-2
EINECS Number:
-
1,2-dimethoxyanthra-9,10-quinone
Molecular Formula:
C
16
H
12
O
4
Molecular Weight:
268.269 g/mol
Cas Number:
-
EINECS Number:
-
4-methoxy-6,6-dimethyl-2-oxo-3-cyclohexen-1-yl chloroacetate
Molecular Formula:
C
11
H
15
ClO
4
Molecular Weight:
246.69 g/mol
Cas Number:
-
EINECS Number:
-
methyl (2Z)-2-(acetylamino)-2-butenoate
Molecular Formula:
C
7
H
11
NO
3
Molecular Weight:
157.169 g/mol
Cas Number:
60027-53-4
EINECS Number:
-
3-cyclohexyl-1H-isothiochromen-1-one
Molecular Formula:
C
15
H
16
OS
Molecular Weight:
244.357 g/mol
Cas Number:
-
EINECS Number:
-
N-(7,8-dioxo-7,8-dihydro-1-naphthalenyl)acetamide
Molecular Formula:
C
12
H
9
NO
3
Molecular Weight:
215.208 g/mol
Cas Number:
-
EINECS Number:
-
4-(4-nitrophenyl)morpholine
Molecular Formula:
C
10
H
12
N
2
O
3
Molecular Weight:
208.217 g/mol
Cas Number:
10389-51-2
EINECS Number:
233-851-3
1-(3-nitrophenyl)piperidine
Molecular Formula:
C
11
H
14
N
2
O
2
Molecular Weight:
206.244 g/mol
Cas Number:
27969-73-9
EINECS Number:
-
1-nitro-3-triflyl-benzene
Molecular Formula:
C
7
H
4
F
3
NO
4
S
Molecular Weight:
255.174 g/mol
Cas Number:
-
EINECS Number:
-
4-methylphenyl trifluoromethyl sulfone
Molecular Formula:
C
8
H
7
F
3
O
2
S
Molecular Weight:
224.204 g/mol
Cas Number:
383-10-8
EINECS Number:
-
furan-2-carboxylic acid ethylsulfanylcarbonyloxy-methyl ester
Molecular Formula:
C
9
H
10
O
5
S
Molecular Weight:
230.241 g/mol
Cas Number:
-
EINECS Number:
-
butyric acid chlorocarbonyloxy-methyl ester
Molecular Formula:
C
6
H
9
ClO
4
Molecular Weight:
180.588 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 3-(2-ethyl-1,3-dioxolan-2-yl)propanoate
Molecular Formula:
C
10
H
18
O
4
Molecular Weight:
202.251 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl 4-(1,3-dioxolan-2-yl)-2-oxobutylphosphonate
Molecular Formula:
C
9
H
17
O
6
P
Molecular Weight:
252.204 g/mol
Cas Number:
-
EINECS Number:
-
(4E)-1-(1,3-dioxolan-2-yl)-4-hexen-3-one
Molecular Formula:
C
9
H
14
O
3
Molecular Weight:
170.208 g/mol
Cas Number:
-
EINECS Number:
-
(4Z)-4-(methylsulfanyl-methylene)-2-phenyl-oxazol-5-one
Molecular Formula:
C
11
H
9
NO
2
S
Molecular Weight:
219.264 g/mol
Cas Number:
-
EINECS Number:
-
N-(2-methylsulfanyl-6-oxo-1,3-oxazin-5-yl)benzamide
Molecular Formula:
C
12
H
10
N
2
O
3
S
Molecular Weight:
262.289 g/mol
Cas Number:
-
EINECS Number:
-
1-(1,1-diethoxybutan-2-yl)pyrrolidine
Molecular Formula:
C
12
H
25
NO
2
Molecular Weight:
215.336 g/mol
Cas Number:
-
EINECS Number:
-
1-bromo-1,5-cyclooctadiene
Molecular Formula:
C
8
H
11
Br
Molecular Weight:
187.079 g/mol
Cas Number:
-
EINECS Number:
-
(2E,6E)-2,6-octadienedioic acid
Molecular Formula:
C
8
H
10
O
4
Molecular Weight:
170.165 g/mol
Cas Number:
-
EINECS Number:
-
1-(2-hydroxy-3,6-dimethylphenyl)-1-propanone
Molecular Formula:
C
11
H
14
O
2
Molecular Weight:
178.231 g/mol
Cas Number:
-
EINECS Number:
-
1-(2-hydroxy-3-isopropyl-6-methylphenyl)-1-propanone
Molecular Formula:
C
13
H
18
O
2
Molecular Weight:
206.285 g/mol
Cas Number:
-
EINECS Number:
-
1-(2-hydroxy-4,6-dimethylphenyl)-1-propanone
Molecular Formula:
C
11
H
14
O
2
Molecular Weight:
178.231 g/mol
Cas Number:
-
EINECS Number:
-
1-(2-hydroxy-5-isopropyl-4-methylphenyl)-1-propanone
Molecular Formula:
C
13
H
18
O
2
Molecular Weight:
206.285 g/mol
Cas Number:
-
EINECS Number:
-
1-(3-tert-butyl-2-hydroxy-5-isopropyl-6-methylphenyl)ethanone
Molecular Formula:
C
16
H
24
O
2
Molecular Weight:
248.365 g/mol
Cas Number:
-
EINECS Number:
-
1-(6-hydroxy-3-isopropyl-2-methylphenyl)ethanone
Molecular Formula:
C
12
H
16
O
2
Molecular Weight:
192.258 g/mol
Cas Number:
-
EINECS Number:
-
N,N-diethyl-3-phenyl-2-propyn-1-amine
Molecular Formula:
C
13
H
17
N
Molecular Weight:
187.285 g/mol
Cas Number:
22396-72-1
EINECS Number:
-
N-(3-phenyl-2-propynyl)aniline
Molecular Formula:
C
15
H
13
N
Molecular Weight:
207.275 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-1,2,3-heptanetriol
Molecular Formula:
C
8
H
18
O
3
Molecular Weight:
162.229 g/mol
Cas Number:
-
EINECS Number:
-
3,4-dihydroxy-4-methyl-2-pentanone
Molecular Formula:
C
6
H
12
O
3
Molecular Weight:
132.159 g/mol
Cas Number:
-
EINECS Number:
-
3,3,6-trimethyl-3,3a,4,5,6,7-hexahydro-2,1-benzisoxazole
Molecular Formula:
C
10
H
17
NO
Molecular Weight:
167.251 g/mol
Cas Number:
-
EINECS Number:
-
1-(4H-chromen-3-yl)ethanone
Molecular Formula:
C
11
H
10
O
2
Molecular Weight:
174.199 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 1-(benzoylamino)ethyl(methyl)phosphinate
Molecular Formula:
C
12
H
18
NO
3
P
Molecular Weight:
255.254 g/mol
Cas Number:
-
EINECS Number:
-
methyl 4-chloro-3-methoxybutanoate
Molecular Formula:
C
6
H
11
ClO
3
Molecular Weight:
166.604 g/mol
Cas Number:
-
EINECS Number:
-
1,2,3,4-tetrahydro-1-naphthalenyl benzylcarbamate
Molecular Formula:
C
18
H
19
NO
2
Molecular Weight:
281.354 g/mol
Cas Number:
-
EINECS Number:
-
1-cyclohexenylsulfanyl-benzene
Molecular Formula:
C
12
H
14
S
Molecular Weight:
190.309 g/mol
Cas Number:
-
EINECS Number:
-
2-(1-hydroxycyclopropyl)-1-phenylethanone
Molecular Formula:
C
11
H
12
O
2
Molecular Weight:
176.215 g/mol
Cas Number:
-
EINECS Number:
-
2-(7-hydroxynorcaran-7-yl)-1-phenyl-ethanone
Molecular Formula:
C
15
H
18
O
2
Molecular Weight:
230.307 g/mol
Cas Number:
-
EINECS Number:
-
1-(1-hydroxycyclopropyl)-3-phenylacetone
Molecular Formula:
C
12
H
14
O
2
Molecular Weight:
190.242 g/mol
Cas Number:
-
EINECS Number:
-
1-(1-hydroxycyclopropyl)-2-octanone
Molecular Formula:
C
11
H
20
O
2
Molecular Weight:
184.279 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl 2-[4-(1-hydroxycyclopropyl)-3-oxobutyl]malonate
Molecular Formula:
C
12
H
18
O
6
Molecular Weight:
258.271 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-3-nitro-1,1'-biphenyl
Molecular Formula:
C
13
H
11
NO
2
Molecular Weight:
213.236 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-4-nitro-1,1'-biphenyl
Molecular Formula:
C
13
H
11
NO
2
Molecular Weight:
213.236 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-5-nitro-1,1'-biphenyl
Molecular Formula:
C
13
H
11
NO
2
Molecular Weight:
213.236 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-2'-nitro-1,1'-biphenyl
Molecular Formula:
C
13
H
11
NO
2
Molecular Weight:
213.236 g/mol
Cas Number:
67992-12-5
EINECS Number:
-
1-cyclohexene-1-carbaldehyde oxime
Molecular Formula:
C
7
H
11
NO
Molecular Weight:
125.17 g/mol
Cas Number:
30950-32-4
EINECS Number:
-
2-ethyl-1,4-benzodioxine
Molecular Formula:
C
10
H
10
O
2
Molecular Weight:
162.188 g/mol
Cas Number:
-
EINECS Number:
-
2-vinyl-1,4-benzodioxine
Molecular Formula:
C
10
H
8
O
2
Molecular Weight:
160.172 g/mol
Cas Number:
-
EINECS Number:
-
3,4-diphenyl-4H-isoxazol-5-one
Molecular Formula:
C
15
H
11
NO
2
Molecular Weight:
237.258 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-1-iodo-2-butene
Molecular Formula:
C
4
H
7
I
Molecular Weight:
182.004 g/mol
Cas Number:
627-24-7
EINECS Number:
-
2,3-dimethyl-4-penten-2-ol
Molecular Formula:
C
7
H
14
O
Molecular Weight:
114.188 g/mol
Cas Number:
19781-52-3
EINECS Number:
-
2-hydroxy-3-methoxybenzaldehyde
Molecular Formula:
C
8
H
8
O
3
Molecular Weight:
152.15 g/mol
Cas Number:
148-53-8
EINECS Number:
205-715-3
(3-bromophenyl)(phenyl)methanol
Molecular Formula:
C
13
H
11
BrO
Molecular Weight:
263.134 g/mol
Cas Number:
63012-04-4
EINECS Number:
-
2-phenyl-1,2-propanediol
Molecular Formula:
C
9
H
12
O
2
Molecular Weight:
152.193 g/mol
Cas Number:
4217-66-7
EINECS Number:
224-154-5
3-chloro-1,2-butanediol
Molecular Formula:
C
4
H
9
ClO
2
Molecular Weight:
124.567 g/mol
Cas Number:
53496-34-7
EINECS Number:
-
1,2-hexanediol
Molecular Formula:
C
6
H
14
O
2
Molecular Weight:
118.176 g/mol
Cas Number:
6920-22-5
EINECS Number:
230-029-6
N-(4-fluorophenyl)-N-(3-pyridinyl)acetamide
Molecular Formula:
C
13
H
11
FN
2
O
Molecular Weight:
230.242 g/mol
Cas Number:
-
EINECS Number:
-
3-methyl-2-vinyl-2,3,4,5,6,7,7a,11a-octahydro-1H-3-benzazonine
Molecular Formula:
C
15
H
23
N
Molecular Weight:
217.354 g/mol
Cas Number:
-
EINECS Number:
-
1,2-bis(1-hexylvinyl)benzene
Molecular Formula:
C
22
H
34
Molecular Weight:
298.512 g/mol
Cas Number:
-
EINECS Number:
-
1,4-bis(1-hexylvinyl)benzene
Molecular Formula:
C
22
H
34
Molecular Weight:
298.512 g/mol
Cas Number:
-
EINECS Number:
-
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