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EINECS Number
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Smiles
Journal Title
GO
Journal of the American Chemical Society - 6338 compounds - page 39
2-chloro-1-nitro-N-propylimidazolidin-2-amine
Molecular Formula:
C
6
H
13
ClN
4
O
2
Molecular Weight:
208.648 g/mol
Cas Number:
-
EINECS Number:
-
1-(2-chloroethyl)-2-nitro-3-propylguanidine
Molecular Formula:
C
6
H
13
ClN
4
O
2
Molecular Weight:
208.648 g/mol
Cas Number:
-
EINECS Number:
-
N-(4,5-dihydro-oxazol-2-yl)-nitramide
Molecular Formula:
C
3
H
5
N
3
O
3
Molecular Weight:
131.091 g/mol
Cas Number:
-
EINECS Number:
-
3-(2-chloroethyl)-1-nitrourea
Molecular Formula:
C
3
H
6
ClN
3
O
3
Molecular Weight:
167.552 g/mol
Cas Number:
-
EINECS Number:
-
2-ethoxy-1-nitro-2-imidazolidinol
Molecular Formula:
C
5
H
11
N
3
O
4
Molecular Weight:
177.16 g/mol
Cas Number:
-
EINECS Number:
-
N-(2-nitramido-ethyl)-carbamic acid ethyl ester
Molecular Formula:
C
5
H
11
N
3
O
4
Molecular Weight:
177.16 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate
Molecular Formula:
C
14
H
14
O
3
S
Molecular Weight:
262.329 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 2-phenyl-2-thiophen-2-ylacetate
Molecular Formula:
C
14
H
14
O
2
S
Molecular Weight:
246.33 g/mol
Cas Number:
-
EINECS Number:
-
4-amino-2-(4-cyclohexylbutyl)-5-methylphenol
Molecular Formula:
C
17
H
27
NO
Molecular Weight:
261.408 g/mol
Cas Number:
-
EINECS Number:
-
2-(4-cyclohexylbutyl)-5-methylbenzo-1,4-quinone
Molecular Formula:
C
17
H
24
O
2
Molecular Weight:
260.376 g/mol
Cas Number:
-
EINECS Number:
-
4-cyclohexyl-1,3-benzenediol
Molecular Formula:
C
12
H
16
O
2
Molecular Weight:
192.258 g/mol
Cas Number:
2138-20-7
EINECS Number:
-
6-(4-cyclohexylbutyl)-3,5-dimethyl-1,2,4-benzenetriol
Molecular Formula:
C
18
H
28
O
3
Molecular Weight:
292.419 g/mol
Cas Number:
-
EINECS Number:
-
2-cyclohexyl-5-hydroxybenzo-1,4-quinone
Molecular Formula:
C
12
H
14
O
3
Molecular Weight:
206.241 g/mol
Cas Number:
-
EINECS Number:
-
1-butylsulfanyl-butane
Molecular Formula:
C
8
H
18
S
Molecular Weight:
146.297 g/mol
Cas Number:
544-40-1
EINECS Number:
208-870-5
4-methyl-2-(4-nitrophenyl)-1(2H)-phthalazinone
Molecular Formula:
C
15
H
11
N
3
O
3
Molecular Weight:
281.271 g/mol
Cas Number:
-
EINECS Number:
-
2-[(1E)-N-(4-nitrophenyl)ethanehydrazonoyl]benzoic acid
Molecular Formula:
C
15
H
13
N
3
O
4
Molecular Weight:
299.286 g/mol
Cas Number:
-
EINECS Number:
-
N-[4-(4-methyl-1-oxo-2(1H)-phthalazinyl)phenyl]acetamide
Molecular Formula:
C
17
H
15
N
3
O
2
Molecular Weight:
293.325 g/mol
Cas Number:
-
EINECS Number:
-
Nitroguanidine
Molecular Formula:
CH
4
N
4
O
2
Molecular Weight:
104.069 g/mol
Cas Number:
556-88-7
EINECS Number:
209-143-5
1-diazo-3-nitroguanidine
Molecular Formula:
CH
2
N
6
O
2
Molecular Weight:
130.066 g/mol
Cas Number:
-
EINECS Number:
-
1-(nitromethyl)-1-cyclohexene
Molecular Formula:
C
7
H
11
NO
2
Molecular Weight:
141.17 g/mol
Cas Number:
5330-61-0
EINECS Number:
-
1-(aminomethyl)cyclohexanol
Molecular Formula:
C
7
H
15
NO
Molecular Weight:
129.202 g/mol
Cas Number:
4000-72-0
EINECS Number:
-
3-(2-chloroethyl)-2-methylpyridine
Molecular Formula:
C
8
H
10
ClN
Molecular Weight:
155.627 g/mol
Cas Number:
-
EINECS Number:
-
2-(2-methyl-3-pyridinyl)ethanol
Molecular Formula:
C
8
H
11
NO
Molecular Weight:
137.181 g/mol
Cas Number:
1977-05-5
EINECS Number:
-
4,6-dichloro-3-(2-ethoxyethyl)-2-methylpyridine
Molecular Formula:
C
10
H
13
Cl
2
NO
Molecular Weight:
234.125 g/mol
Cas Number:
-
EINECS Number:
-
4,6-dichloro-3-(2-chloroethyl)-2-methylpyridine
Molecular Formula:
C
8
H
8
Cl
3
N
Molecular Weight:
224.516 g/mol
Cas Number:
-
EINECS Number:
-
2-chlorobutane
Molecular Formula:
C
4
H
9
Cl
Molecular Weight:
92.568 g/mol
Cas Number:
78-86-4
EINECS Number:
201-151-7
2-nitro-9H-carbazole
Molecular Formula:
C
12
H
8
N
2
O
2
Molecular Weight:
212.208 g/mol
Cas Number:
14191-22-1
EINECS Number:
-
4-nitro-2-phenylaniline
Molecular Formula:
C
12
H
10
N
2
O
2
Molecular Weight:
214.224 g/mol
Cas Number:
29608-75-1
EINECS Number:
-
2-azido-4',5-dinitro-1,1'-biphenyl
Molecular Formula:
C
12
H
7
N
5
O
4
Molecular Weight:
285.219 g/mol
Cas Number:
-
EINECS Number:
-
1-benzyl-4-phenylpyrimidine-2-thione
Molecular Formula:
C
17
H
14
N
2
S
Molecular Weight:
278.378 g/mol
Cas Number:
-
EINECS Number:
-
4-phenyl-2H-1,3-thiazin-2-imine
Molecular Formula:
C
10
H
8
N
2
S
Molecular Weight:
188.253 g/mol
Cas Number:
-
EINECS Number:
-
9,12-octadecadiynal
Molecular Formula:
C
18
H
28
O
Molecular Weight:
260.42 g/mol
Cas Number:
-
EINECS Number:
-
S-[(1E)-1-decen-9-ynyl] ethanethioate
Molecular Formula:
C
12
H
18
OS
Molecular Weight:
210.34 g/mol
Cas Number:
-
EINECS Number:
-
dec-9-ynal oxime
Molecular Formula:
C
10
H
17
NO
Molecular Weight:
167.251 g/mol
Cas Number:
-
EINECS Number:
-
2-non-8-ynyl-1,3-dioxolane
Molecular Formula:
C
12
H
20
O
2
Molecular Weight:
196.29 g/mol
Cas Number:
-
EINECS Number:
-
2-amino-3-hydroxy-2-(hydroxymethyl)propyl 4-nitrobenzoate
Molecular Formula:
C
11
H
14
N
2
O
6
Molecular Weight:
270.242 g/mol
Cas Number:
-
EINECS Number:
-
2-hydroxy-4,6-dimethylnicotinonitrile
Molecular Formula:
C
8
H
8
N
2
O
Molecular Weight:
148.164 g/mol
Cas Number:
769-28-8
EINECS Number:
212-207-5
4H-thieno[3,2-b]indole
Molecular Formula:
C
10
H
7
NS
Molecular Weight:
173.238 g/mol
Cas Number:
-
EINECS Number:
-
(2E,6E)-2,6-octadiene
Molecular Formula:
C
8
H
14
Molecular Weight:
110.199 g/mol
Cas Number:
4974-27-0
EINECS Number:
-
Fluorene
Molecular Formula:
C
13
H
10
Molecular Weight:
166.222 g/mol
Cas Number:
86-73-7
EINECS Number:
201-695-5
5,6-dihydro-4H-benzo[de]anthracene
Molecular Formula:
C
17
H
14
Molecular Weight:
218.298 g/mol
Cas Number:
4389-09-7
EINECS Number:
-
4-(1-piperidinylmethyl)-1,2-dihydro-5-acenaphthylenol
Molecular Formula:
C
18
H
21
NO
Molecular Weight:
267.371 g/mol
Cas Number:
-
EINECS Number:
-
4-methyl-1,2-dihydro-5-acenaphthylenol
Molecular Formula:
C
13
H
12
O
Molecular Weight:
184.238 g/mol
Cas Number:
-
EINECS Number:
-
2,6-dichlorophenol
Molecular Formula:
C
6
H
4
Cl
2
O
Molecular Weight:
163.003 g/mol
Cas Number:
87-65-0
EINECS Number:
201-761-3
2-chloro-1-naphthol
Molecular Formula:
C
10
H
7
ClO
Molecular Weight:
178.618 g/mol
Cas Number:
606-40-6
EINECS Number:
-
1-(dichloromethyl)-1-methyl-2(1H)-naphthalenone
Molecular Formula:
C
12
H
10
Cl
2
O
Molecular Weight:
241.116 g/mol
Cas Number:
6947-67-7
EINECS Number:
-
1-thiophen-2-yl-ethanol
Molecular Formula:
C
6
H
8
OS
Molecular Weight:
128.195 g/mol
Cas Number:
2309-47-9
EINECS Number:
-
2-thiophenecarboxamide
Molecular Formula:
C
5
H
5
NOS
Molecular Weight:
127.167 g/mol
Cas Number:
5813-89-8
EINECS Number:
238-028-2
1-(4-methylsulfonyl-phenyl)-ethanol
Molecular Formula:
C
9
H
12
O
3
S
Molecular Weight:
200.258 g/mol
Cas Number:
-
EINECS Number:
-
1-(4-methylsulfanyl-phenyl)-ethanone
Molecular Formula:
C
9
H
10
OS
Molecular Weight:
166.244 g/mol
Cas Number:
1778-09-2
EINECS Number:
217-213-1
2-bromo-N-ethylprop-2-en-1-amine
Molecular Formula:
C
5
H
10
BrN
Molecular Weight:
164.045 g/mol
Cas Number:
871-23-8
EINECS Number:
-
2-imino-3-(4-nitrophenyl)-1-phenyl-4-imidazolidinone
Molecular Formula:
C
15
H
12
N
4
O
3
Molecular Weight:
296.285 g/mol
Cas Number:
-
EINECS Number:
-
2-phenylcyclohex-2-en-1-one oxime
Molecular Formula:
C
12
H
13
NO
Molecular Weight:
187.241 g/mol
Cas Number:
-
EINECS Number:
-
3,4-dimethoxythiophene
Molecular Formula:
C
6
H
8
O
2
S
Molecular Weight:
144.194 g/mol
Cas Number:
51792-34-8
EINECS Number:
-
4-(dimethylamino)benzaldehyde thiosemicarbazone
Molecular Formula:
C
10
H
14
N
4
S
Molecular Weight:
222.314 g/mol
Cas Number:
2929-81-9
EINECS Number:
-
4-hydroxy-7-methyl-5H-furo[3,2-g]chromen-5-one
Molecular Formula:
C
12
H
8
O
4
Molecular Weight:
216.193 g/mol
Cas Number:
-
EINECS Number:
-
1,2-dichloro-1,2-dimethoxyethane
Molecular Formula:
C
4
H
8
Cl
2
O
2
Molecular Weight:
159.012 g/mol
Cas Number:
-
EINECS Number:
-
1,1,2,2-tetramethoxyethane
Molecular Formula:
C
6
H
14
O
4
Molecular Weight:
150.175 g/mol
Cas Number:
-
EINECS Number:
-
4,6-bis(allyloxy)-1,3,5-triazin-2-amine
Molecular Formula:
C
9
H
12
N
4
O
2
Molecular Weight:
208.22 g/mol
Cas Number:
30358-11-3
EINECS Number:
-
4-methoxy-6-(vinylanilino)-1,3,5-triazin-2-ol
Molecular Formula:
C
12
H
12
N
4
O
2
Molecular Weight:
244.253 g/mol
Cas Number:
-
EINECS Number:
-
5-(phenylsulfonyl)-2-thiophenecarboxylic acid
Molecular Formula:
C
11
H
8
O
4
S
2
Molecular Weight:
268.314 g/mol
Cas Number:
5324-78-7
EINECS Number:
-
N-(methoxy-phenylmethyl)-N-phenylacetamide
Molecular Formula:
C
16
H
17
NO
2
Molecular Weight:
255.317 g/mol
Cas Number:
-
EINECS Number:
-
(acetylanilino)(phenyl)methyl acetate
Molecular Formula:
C
17
H
17
NO
3
Molecular Weight:
283.327 g/mol
Cas Number:
-
EINECS Number:
-
N-ethyl-3-pyridin-2-ylpropanamide
Molecular Formula:
C
10
H
14
N
2
O
Molecular Weight:
178.234 g/mol
Cas Number:
-
EINECS Number:
-
N,N-dimethyl-beta-alanine
Molecular Formula:
C
5
H
11
NO
2
Molecular Weight:
117.148 g/mol
Cas Number:
6300-04-5
EINECS Number:
-
3,3-dimethyl-4-methylsulfanyl-1,4-diphenylazetidin-2-one
Molecular Formula:
C
18
H
19
NOS
Molecular Weight:
297.421 g/mol
Cas Number:
-
EINECS Number:
-
1-cyclopropylethanone oxime
Molecular Formula:
C
5
H
9
NO
Molecular Weight:
99.133 g/mol
Cas Number:
51761-72-9
EINECS Number:
-
9-oxo-9H-fluorene-1-sulfinic acid
Molecular Formula:
C
13
H
8
O
3
S
Molecular Weight:
244.271 g/mol
Cas Number:
-
EINECS Number:
-
1-sulfanyl-9H-fluoren-9-one
Molecular Formula:
C
13
H
8
OS
Molecular Weight:
212.272 g/mol
Cas Number:
-
EINECS Number:
-
9-oxo-9H-fluorene-1-sulfonyl chloride
Molecular Formula:
C
13
H
7
ClO
3
S
Molecular Weight:
278.715 g/mol
Cas Number:
-
EINECS Number:
-
1-morpholin-4-ylsulfanyl-fluoren-9-one
Molecular Formula:
C
17
H
15
NO
2
S
Molecular Weight:
297.378 g/mol
Cas Number:
-
EINECS Number:
-
9-oxo-9H-fluorene-1-sulfenyl chloride
Molecular Formula:
C
13
H
7
ClOS
Molecular Weight:
246.717 g/mol
Cas Number:
-
EINECS Number:
-
1-iodoacetone
Molecular Formula:
C
3
H
5
IO
Molecular Weight:
183.977 g/mol
Cas Number:
3019-04-3
EINECS Number:
-
4-methyl-1,3-thiazolidin-2-amine
Molecular Formula:
C
4
H
10
N
2
S
Molecular Weight:
118.203 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 3-ethyl-5-methyl-2-oxotetrahydro-2H-pyran-3-carboxylate
Molecular Formula:
C
11
H
18
O
4
Molecular Weight:
214.262 g/mol
Cas Number:
-
EINECS Number:
-
(3E)-3-chloro-3-hexene
Molecular Formula:
C
6
H
11
Cl
Molecular Weight:
118.606 g/mol
Cas Number:
-
EINECS Number:
-
Granatonine
Molecular Formula:
C
9
H
15
NO
Molecular Weight:
153.224 g/mol
Cas Number:
552-70-5
EINECS Number:
209-021-1
3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde O-methyloxime
Molecular Formula:
C
9
H
12
N
2
O
3
Molecular Weight:
196.206 g/mol
Cas Number:
-
EINECS Number:
-
1-ethoxy-4-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl acetate
Molecular Formula:
C
12
H
15
NO
4
Molecular Weight:
237.255 g/mol
Cas Number:
-
EINECS Number:
-
8-methyl-11H-benzo[a]fluorene-5,11-diol
Molecular Formula:
C
18
H
14
O
2
Molecular Weight:
262.308 g/mol
Cas Number:
-
EINECS Number:
-
8-methyl-11H-benzo[a]fluoren-5-ol
Molecular Formula:
C
18
H
14
O
Molecular Weight:
246.309 g/mol
Cas Number:
-
EINECS Number:
-
Chrysofluorene
Molecular Formula:
C
17
H
12
Molecular Weight:
216.282 g/mol
Cas Number:
238-84-6
EINECS Number:
-
6-thiabicyclo[3.1.0]hexane
Molecular Formula:
C
5
H
8
S
Molecular Weight:
100.185 g/mol
Cas Number:
285-75-6
EINECS Number:
-
1,2-Cyclohexylene sulfide
Molecular Formula:
C
6
H
10
S
Molecular Weight:
114.211 g/mol
Cas Number:
286-28-2
EINECS Number:
206-008-2
naphtho[2,3-d][1,3]dithiole-2,4,9-trione
Molecular Formula:
C
11
H
4
O
3
S
2
Molecular Weight:
248.283 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 2-phenylmethoxycarbonylaminoacetate
Molecular Formula:
C
12
H
15
NO
4
Molecular Weight:
237.255 g/mol
Cas Number:
1145-81-9
EINECS Number:
-
4-methyl-2-pyrimidinamine
Molecular Formula:
C
5
H
7
N
3
Molecular Weight:
109.131 g/mol
Cas Number:
108-52-1
EINECS Number:
203-591-5
4a-methyl-2,3,4,9,10,10a-hexahydro-phenanthren-1-one
Molecular Formula:
C
15
H
18
O
Molecular Weight:
214.307 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-2-(hydroxyimino)-N-[3-(trifluoromethyl)phenyl]ethanamide
Molecular Formula:
C
9
H
7
F
3
N
2
O
2
Molecular Weight:
232.162 g/mol
Cas Number:
-
EINECS Number:
-
2-propylsulfanyl-propane
Molecular Formula:
C
6
H
14
S
Molecular Weight:
118.243 g/mol
Cas Number:
5008-73-1
EINECS Number:
-
1,5-dibromo-2-methylpentane
Molecular Formula:
C
6
H
12
Br
2
Molecular Weight:
243.969 g/mol
Cas Number:
25118-31-4
EINECS Number:
-
2,3,4,5,6-pentamethylbenzoyl chloride
Molecular Formula:
C
12
H
15
ClO
Molecular Weight:
210.703 g/mol
Cas Number:
-
EINECS Number:
-
2-dimethylaminoethyl 2-hydroxy-4-nitrobenzoate
Molecular Formula:
C
11
H
14
N
2
O
5
Molecular Weight:
254.243 g/mol
Cas Number:
-
EINECS Number:
-
4-nitro-2-phenylmethoxybenzoic acid
Molecular Formula:
C
14
H
11
NO
5
Molecular Weight:
273.245 g/mol
Cas Number:
5340-21-6
EINECS Number:
-
diethyl 4-oxo-4H-quinolizine-1,3-dicarboxylate
Molecular Formula:
C
15
H
15
NO
5
Molecular Weight:
289.288 g/mol
Cas Number:
54401-76-2
EINECS Number:
-
diethyl (2Z)-2-(hydroxymethylene)-3-oxobutanedioate
Molecular Formula:
C
9
H
12
O
6
Molecular Weight:
216.191 g/mol
Cas Number:
-
EINECS Number:
-
diethyl (2E)-2-(aminomethylene)-3-oxobutanedioate
Molecular Formula:
C
9
H
13
NO
5
Molecular Weight:
215.206 g/mol
Cas Number:
-
EINECS Number:
-
diethyl (2E)-2-(ethoxymethylene)-3-oxobutanedioate
Molecular Formula:
C
11
H
16
O
6
Molecular Weight:
244.244 g/mol
Cas Number:
52942-64-0
EINECS Number:
-
(4-hydroxy-1-naphthyl)(oxo)acetic acid
Molecular Formula:
C
12
H
8
O
4
Molecular Weight:
216.193 g/mol
Cas Number:
-
EINECS Number:
-
8-hydroxynaphtho[2,1-b]furan-1,2-dione
Molecular Formula:
C
12
H
6
O
4
Molecular Weight:
214.177 g/mol
Cas Number:
-
EINECS Number:
-
1
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