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Chemical Name
Cas Number
EINECS Number
MDL Number
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InChIKey
Smiles
Journal Title
GO
Journal of the American Chemical Society - 6338 compounds - page 24
Hexafluoro-2-butyne
Molecular Formula:
C
4
F
6
Molecular Weight:
162.034 g/mol
Cas Number:
692-50-2
EINECS Number:
211-732-7
1,2-bis(trifluoromethyl)-1,4-cyclohexadiene
Molecular Formula:
C
8
H
6
F
6
Molecular Weight:
216.126 g/mol
Cas Number:
-
EINECS Number:
-
(2-chlorophenyl)(4-chlorophenyl)methanol
Molecular Formula:
C
13
H
10
Cl
2
O
Molecular Weight:
253.127 g/mol
Cas Number:
43171-49-9
EINECS Number:
-
9-phenyl-9H-fluorene
Molecular Formula:
C
19
H
14
Molecular Weight:
242.32 g/mol
Cas Number:
789-24-2
EINECS Number:
-
4-hydroxypentanal
Molecular Formula:
C
5
H
10
O
2
Molecular Weight:
102.133 g/mol
Cas Number:
44601-24-3
EINECS Number:
-
11-hydroxyundecanoic acid
Molecular Formula:
C
11
H
22
O
3
Molecular Weight:
202.294 g/mol
Cas Number:
3669-80-5
EINECS Number:
222-932-9
dibenzo[d,f][1,2]dioxocine-5,8-dione
Molecular Formula:
C
14
H
8
O
4
Molecular Weight:
240.215 g/mol
Cas Number:
-
EINECS Number:
-
Diphenic anhydride
Molecular Formula:
C
14
H
8
O
3
Molecular Weight:
224.216 g/mol
Cas Number:
6050-13-1
EINECS Number:
227-950-0
2,7-ditert-butyl-2,4,6-cycloheptatrien-1-one
Molecular Formula:
C
15
H
22
O
Molecular Weight:
218.339 g/mol
Cas Number:
-
EINECS Number:
-
6-chloro-5H-dibenzo[a,c]cyclohepten-5-one
Molecular Formula:
C
15
H
9
ClO
Molecular Weight:
240.689 g/mol
Cas Number:
-
EINECS Number:
-
1,1-dichloro-1a-methoxy-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
Molecular Formula:
C
16
H
12
Cl
2
O
Molecular Weight:
291.176 g/mol
Cas Number:
-
EINECS Number:
-
8-chloro-5H-benzo[a]cyclohepten-5-one
Molecular Formula:
C
11
H
7
ClO
Molecular Weight:
190.629 g/mol
Cas Number:
-
EINECS Number:
-
2-phenyldiazenylpropan-2-yl acetate
Molecular Formula:
C
11
H
14
N
2
O
2
Molecular Weight:
206.244 g/mol
Cas Number:
23386-03-0
EINECS Number:
-
1-ethenoxy-4-methylbenzene
Molecular Formula:
C
9
H
10
O
Molecular Weight:
134.178 g/mol
Cas Number:
-
EINECS Number:
-
3-(2,2-dimethyl-1-oxido-3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine
Molecular Formula:
C
17
H
18
N
2
O
Molecular Weight:
266.343 g/mol
Cas Number:
-
EINECS Number:
-
ethyl N-tert-butyl-N-nitrocarbamate
Molecular Formula:
C
7
H
14
N
2
O
4
Molecular Weight:
190.199 g/mol
Cas Number:
-
EINECS Number:
-
N-isobutyl-N-nitro-carbamic acid ethyl ester
Molecular Formula:
C
7
H
14
N
2
O
4
Molecular Weight:
190.199 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl 5-methyl-4-phenyl-1H-pyrrole-2,3-dicarboxylate
Molecular Formula:
C
15
H
15
NO
4
Molecular Weight:
273.288 g/mol
Cas Number:
-
EINECS Number:
-
1,4-dimethoxybenzene
Molecular Formula:
C
8
H
10
O
2
Molecular Weight:
138.166 g/mol
Cas Number:
150-78-7
EINECS Number:
205-771-9
1-methyl-2-(2-methylphenyl)disulfanylbenzene
Molecular Formula:
C
14
H
14
S
2
Molecular Weight:
246.397 g/mol
Cas Number:
4032-80-8
EINECS Number:
-
methyl 2-methylbenzenesulfinate
Molecular Formula:
C
8
H
10
O
2
S
Molecular Weight:
170.232 g/mol
Cas Number:
-
EINECS Number:
-
4-dimethylamino-6-hydroxy-s-triazine-2-carbonitrile
Molecular Formula:
C
6
H
7
N
5
O
Molecular Weight:
165.155 g/mol
Cas Number:
-
EINECS Number:
-
3,4-diphenyl-2,5-furandione
Molecular Formula:
C
16
H
10
O
3
Molecular Weight:
250.254 g/mol
Cas Number:
4808-48-4
EINECS Number:
225-370-2
N-(2-oxotetrahydro-3-furanyl)benzamide
Molecular Formula:
C
11
H
11
NO
3
Molecular Weight:
205.213 g/mol
Cas Number:
13602-48-7
EINECS Number:
-
2-phenylcyclopropanecarbonitrile
Molecular Formula:
C
10
H
9
N
Molecular Weight:
143.188 g/mol
Cas Number:
5590-14-7
EINECS Number:
-
diethyl (2Z)-2-benzylidenebutanedioate
Molecular Formula:
C
15
H
18
O
4
Molecular Weight:
262.306 g/mol
Cas Number:
23360-64-7
EINECS Number:
-
2-diethoxyphosphoryl-N-(2-oxo-butyl)-propionamide
Molecular Formula:
C
11
H
22
NO
5
P
Molecular Weight:
279.273 g/mol
Cas Number:
-
EINECS Number:
-
4-ethyl-3-methyl-1,5-dihydro-2H-pyrrol-2-one
Molecular Formula:
C
7
H
11
NO
Molecular Weight:
125.17 g/mol
Cas Number:
-
EINECS Number:
-
2,3,4,9-tetrahydro-1H-fluorene
Molecular Formula:
C
13
H
14
Molecular Weight:
170.254 g/mol
Cas Number:
17057-95-3
EINECS Number:
-
1-iodo-4-nitrobenzene
Molecular Formula:
C
6
H
4
INO
2
Molecular Weight:
249.008 g/mol
Cas Number:
636-98-6
EINECS Number:
211-272-7
2-nitro-4,5,9,10-tetrahydropyrene
Molecular Formula:
C
16
H
13
NO
2
Molecular Weight:
251.285 g/mol
Cas Number:
10549-22-1
EINECS Number:
-
1,3-benzodioxole-5-carboxamide
Molecular Formula:
C
8
H
7
NO
3
Molecular Weight:
165.149 g/mol
Cas Number:
4847-94-3
EINECS Number:
220-056-1
1-cyano-N-phenethylformamide
Molecular Formula:
C
10
H
10
N
2
O
Molecular Weight:
174.202 g/mol
Cas Number:
-
EINECS Number:
-
N-phenethyl-oxamide
Molecular Formula:
C
10
H
12
N
2
O
2
Molecular Weight:
192.218 g/mol
Cas Number:
-
EINECS Number:
-
aziridin-1-yl-cyclopropylmethanone
Molecular Formula:
C
6
H
9
NO
Molecular Weight:
111.144 g/mol
Cas Number:
-
EINECS Number:
-
4-dimethylamino-benzonitrile
Molecular Formula:
C
9
H
10
N
2
Molecular Weight:
146.192 g/mol
Cas Number:
1197-19-9
EINECS Number:
214-819-8
1,1,2,2-tetramethyldiphosphane
Molecular Formula:
C
4
H
12
P
2
Molecular Weight:
122.087 g/mol
Cas Number:
3676-91-3
EINECS Number:
-
1,1-dichloro-2,2,2-trifluoro-1-iodoethane
Molecular Formula:
C
2
Cl
2
F
3
I
Molecular Weight:
278.827 g/mol
Cas Number:
-
EINECS Number:
-
1,1,2,2,3,3,3-heptafluoropropyl chloridosulfate
Molecular Formula:
C
3
ClF
7
O
3
S
Molecular Weight:
284.539 g/mol
Cas Number:
-
EINECS Number:
-
3-tert-butylphenol
Molecular Formula:
C
10
H
14
O
Molecular Weight:
150.221 g/mol
Cas Number:
585-34-2
EINECS Number:
209-553-4
4-ethyl-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazole
Molecular Formula:
C
11
H
12
N
2
O
3
Molecular Weight:
220.228 g/mol
Cas Number:
-
EINECS Number:
-
6-chloro-9-tetrahydro-2H-pyran-2-yl-9H-purine
Molecular Formula:
C
10
H
11
ClN
4
O
Molecular Weight:
238.676 g/mol
Cas Number:
7306-68-5
EINECS Number:
-
6-methylsulfanyl-9-tetrahydro-pyran-2-yl-9H-purine
Molecular Formula:
C
11
H
14
N
4
OS
Molecular Weight:
250.325 g/mol
Cas Number:
13153-63-4
EINECS Number:
-
(2,4-dimethyl-3-phenylcyclobutyl)benzene
Molecular Formula:
C
18
H
20
Molecular Weight:
236.357 g/mol
Cas Number:
-
EINECS Number:
-
5-morpholin-4-yl-pentan-2-one
Molecular Formula:
C
9
H
17
NO
2
Molecular Weight:
171.24 g/mol
Cas Number:
-
EINECS Number:
-
1,5-dinitropentane
Molecular Formula:
C
5
H
10
N
2
O
4
Molecular Weight:
162.145 g/mol
Cas Number:
6848-84-6
EINECS Number:
-
(7E)-N-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine
Molecular Formula:
C
9
H
12
N
2
Molecular Weight:
148.208 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 3-(2-nitrobutyl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Molecular Formula:
C
15
H
22
N
2
O
4
Molecular Weight:
294.351 g/mol
Cas Number:
92700-75-9
EINECS Number:
-
bicyclo[4.1.0]hept-3-ene
Molecular Formula:
C
7
H
10
Molecular Weight:
94.156 g/mol
Cas Number:
16554-83-9
EINECS Number:
-
ethyl 2-hydroxy-3-oxohexahydro-1H-pyrrolizine-1-carboxylate
Molecular Formula:
C
10
H
15
NO
4
Molecular Weight:
213.233 g/mol
Cas Number:
21823-71-2
EINECS Number:
-
2,2-difluoro-1,3-dithiolane
Molecular Formula:
C
3
H
4
F
2
S
2
Molecular Weight:
142.194 g/mol
Cas Number:
-
EINECS Number:
-
3,4-bis(trifluoromethyl)-1,2-dithiete
Molecular Formula:
C
4
F
6
S
2
Molecular Weight:
226.166 g/mol
Cas Number:
360-91-8
EINECS Number:
-
(2Z)-1,1,1,4,4,4-hexafluoro-2,3-bis(methylsulfanyl)-2-butene
Molecular Formula:
C
6
H
6
F
6
S
2
Molecular Weight:
256.236 g/mol
Cas Number:
-
EINECS Number:
-
2-chloro-1-nonene
Molecular Formula:
C
9
H
17
Cl
Molecular Weight:
160.687 g/mol
Cas Number:
1745-15-9
EINECS Number:
-
1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
Molecular Formula:
C
11
H
12
N
2
Molecular Weight:
172.23 g/mol
Cas Number:
-
EINECS Number:
-
7-nitro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
Molecular Formula:
C
11
H
11
N
3
O
2
Molecular Weight:
217.227 g/mol
Cas Number:
-
EINECS Number:
-
1,1-dinitroethane
Molecular Formula:
C
2
H
4
N
2
O
4
Molecular Weight:
120.065 g/mol
Cas Number:
600-40-8
EINECS Number:
-
N,N-difluoroacetamide
Molecular Formula:
C
2
H
3
F
2
NO
Molecular Weight:
95.049 g/mol
Cas Number:
-
EINECS Number:
-
1-chlorobicyclo[2.1.1]hexane
Molecular Formula:
C
6
H
9
Cl
Molecular Weight:
116.59 g/mol
Cas Number:
-
EINECS Number:
-
7H-purine-6-sulfonyl fluoride
Molecular Formula:
C
5
H
3
FN
4
O
2
S
Molecular Weight:
202.169 g/mol
Cas Number:
1513-63-9
EINECS Number:
-
2-chlorophenylphosphonous dichloride
Molecular Formula:
C
6
H
4
Cl
3
P
Molecular Weight:
213.43 g/mol
Cas Number:
1004-78-0
EINECS Number:
-
diphenylphosphinic azide
Molecular Formula:
C
12
H
10
N
3
OP
Molecular Weight:
243.205 g/mol
Cas Number:
4129-17-3
EINECS Number:
-
N-tert-butyl-N-chloro-2-phenylacetamide
Molecular Formula:
C
12
H
16
ClNO
Molecular Weight:
225.718 g/mol
Cas Number:
-
EINECS Number:
-
(tert-butylamino)(phenyl)acetic acid
Molecular Formula:
C
12
H
17
NO
2
Molecular Weight:
207.273 g/mol
Cas Number:
5466-04-6
EINECS Number:
-
1-cyclohexen-1-yl 4-methylphenyl sulfone
Molecular Formula:
C
13
H
16
O
2
S
Molecular Weight:
236.335 g/mol
Cas Number:
67963-03-5
EINECS Number:
-
1,4,5,8-tetrahydro-1,5-naphthalenedicarboxylic acid
Molecular Formula:
C
12
H
12
O
4
Molecular Weight:
220.225 g/mol
Cas Number:
-
EINECS Number:
-
1,6-dihydroheptalene
Molecular Formula:
C
12
H
12
Molecular Weight:
156.227 g/mol
Cas Number:
-
EINECS Number:
-
heptalene
Molecular Formula:
C
12
H
10
Molecular Weight:
154.211 g/mol
Cas Number:
-
EINECS Number:
-
1,2,2,3,3,4,4-heptafluorocyclobutanol
Molecular Formula:
C
4
HF
7
O
Molecular Weight:
198.04 g/mol
Cas Number:
-
EINECS Number:
-
methylamino-methanethioic acid S-(trichloromethylsulfanyl) ester
Molecular Formula:
C
3
H
4
Cl
3
NOS
2
Molecular Weight:
240.561 g/mol
Cas Number:
-
EINECS Number:
-
1,4-dithiepan-6-one
Molecular Formula:
C
5
H
8
OS
2
Molecular Weight:
148.25 g/mol
Cas Number:
34654-19-8
EINECS Number:
-
ethyl 1,4-dioxa-7,9-dithiaspiro[4.5]decane-6-carboxylate
Molecular Formula:
C
9
H
14
O
4
S
2
Molecular Weight:
250.34 g/mol
Cas Number:
-
EINECS Number:
-
1,4-dioxa-7,9-dithiaspiro[4.5]decane-6-carboxylic acid
Molecular Formula:
C
7
H
10
O
4
S
2
Molecular Weight:
222.286 g/mol
Cas Number:
-
EINECS Number:
-
1,3-dithian-5-one
Molecular Formula:
C
4
H
6
OS
2
Molecular Weight:
134.223 g/mol
Cas Number:
-
EINECS Number:
-
2-(carbamoyl-methylsulfanyl-methylsulfanyl)-acetamide
Molecular Formula:
C
5
H
10
N
2
O
2
S
2
Molecular Weight:
194.279 g/mol
Cas Number:
-
EINECS Number:
-
4-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridine
Molecular Formula:
C
13
H
9
N
3
O
Molecular Weight:
223.234 g/mol
Cas Number:
-
EINECS Number:
-
4-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridine 1-oxide
Molecular Formula:
C
13
H
9
N
3
O
2
Molecular Weight:
239.233 g/mol
Cas Number:
-
EINECS Number:
-
2-(methyl-phenylphosphoryl)oxyethyl acetate
Molecular Formula:
C
11
H
15
O
4
P
Molecular Weight:
242.211 g/mol
Cas Number:
-
EINECS Number:
-
2-amino-1-phenylethanone
Molecular Formula:
C
8
H
9
NO
Molecular Weight:
135.166 g/mol
Cas Number:
613-89-8
EINECS Number:
-
N-chloro-1-methoxypropan-1-imine
Molecular Formula:
C
4
H
8
ClNO
Molecular Weight:
121.566 g/mol
Cas Number:
-
EINECS Number:
-
methyl 2-aminopropanoate
Molecular Formula:
C
4
H
9
NO
2
Molecular Weight:
103.121 g/mol
Cas Number:
021705-13-5
EINECS Number:
-
N-chloro-1,2-diphenylethanimine
Molecular Formula:
C
14
H
12
ClN
Molecular Weight:
229.709 g/mol
Cas Number:
-
EINECS Number:
-
1-phenyl-2-pyridin-3-ylethanone
Molecular Formula:
C
13
H
11
NO
Molecular Weight:
197.236 g/mol
Cas Number:
1081-48-7
EINECS Number:
-
N,N-dimethyl-3-phenyl-3-pyridin-4-ylpropan-1-amine
Molecular Formula:
C
16
H
20
N
2
Molecular Weight:
240.348 g/mol
Cas Number:
-
EINECS Number:
-
1,1,1,10,10,10-hexafluorodecane
Molecular Formula:
C
10
H
16
F
6
Molecular Weight:
250.227 g/mol
Cas Number:
-
EINECS Number:
-
1,1,2,2,2-pentafluoroethylimidosulfurous difluoride
Molecular Formula:
C
2
F
7
NS
Molecular Weight:
203.084 g/mol
Cas Number:
-
EINECS Number:
-
(4-chlorophenyl)methanol
Molecular Formula:
C
7
H
7
ClO
Molecular Weight:
142.585 g/mol
Cas Number:
873-76-7
EINECS Number:
212-852-2
(3-nitrophenyl)methanamine
Molecular Formula:
C
7
H
8
N
2
O
2
Molecular Weight:
152.153 g/mol
Cas Number:
26177-43-5
EINECS Number:
-
2-amino-2-methylbutanenitrile
Molecular Formula:
C
5
H
10
N
2
Molecular Weight:
98.148 g/mol
Cas Number:
4475-95-0
EINECS Number:
-
(2E)-3-anilino-2-propen-1-ol
Molecular Formula:
C
9
H
11
NO
Molecular Weight:
149.192 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl cyclopentylboronate
Molecular Formula:
C
7
H
15
BO
2
Molecular Weight:
142.006 g/mol
Cas Number:
41156-60-9
EINECS Number:
-
tert-butyl-bis(pentylsulfanyl)-borane
Molecular Formula:
C
14
H
31
BS
2
Molecular Weight:
274.343 g/mol
Cas Number:
-
EINECS Number:
-
tris(butylsulfanyl)borane
Molecular Formula:
C
12
H
27
BS
3
Molecular Weight:
278.355 g/mol
Cas Number:
-
EINECS Number:
-
N-benzylbenzenesulfonamide
Molecular Formula:
C
13
H
13
NO
2
S
Molecular Weight:
247.318 g/mol
Cas Number:
837-18-3
EINECS Number:
-
difluoro-isocyanato-methoxymethane
Molecular Formula:
C
3
H
3
F
2
NO
2
Molecular Weight:
123.059 g/mol
Cas Number:
-
EINECS Number:
-
2,2-dichloro-N,N-diethyl-N'-phenylethanimidamide
Molecular Formula:
C
12
H
16
Cl
2
N
2
Molecular Weight:
259.178 g/mol
Cas Number:
-
EINECS Number:
-
(1Z)-2,2-dichloro-N,N-diethyl-N'-(4-methylphenyl)ethanimidamide
Molecular Formula:
C
13
H
18
Cl
2
N
2
Molecular Weight:
273.205 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 2-oxo-2-phenylacetate
Molecular Formula:
C
10
H
10
O
3
Molecular Weight:
178.188 g/mol
Cas Number:
1603-79-8
EINECS Number:
216-504-0
5-(4-morpholinylmethyl)-2,4(1H,3H)-pyrimidinedione
Molecular Formula:
C
9
H
13
N
3
O
3
Molecular Weight:
211.221 g/mol
Cas Number:
72704-63-3
EINECS Number:
-
4-amino-6-chloro-N'-methylbenzene-1,3-disulfonamide
Molecular Formula:
C
7
H
10
ClN
3
O
4
S
2
Molecular Weight:
299.759 g/mol
Cas Number:
-
EINECS Number:
-
1
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