CAS RN: 51983-24-5
CAS Name: N-(2-bromoethyl)-4-fluorobenzenesulfonamide
OPENEYE Name: N-(2-bromoethyl)-4-fluoro-benzenesulfonamide
IUPAC Name: N-(2-bromoethyl)-4-fluorobenzenesulfonamide
SYSTEMATIC NAME: N-(2-bromoethyl)-4-fluoranyl-benzenesulfonamide
MOLECULAR FORMULA: C8H9BrFNO2S
MOLECULAR WEIGHT: 282.129963
SMILES: C1=CC(=CC=C1F)S(=O)(=O)NCCBr
Structure:
CAS RN: 26663-77-4
CAS Name: 3H-benzimidazole-5-carboxylic acid methyl ester
OPENEYE Name: methyl 3H-benzimidazole-5-carboxylate
IUPAC Name: methyl 3H-benzimidazole-5-carboxylate
SYSTEMATIC NAME: methyl 3H-benzimidazole-5-carboxylate
MOLECULAR FORMULA: C9H8N2O2
MOLECULAR WEIGHT: 176.17202
SMILES: COC(=O)C1=CC2=C(C=C1)N=CN2
Structure:
CAS RN: 64910-46-9
CAS Name: 3-amino-4-(methylamino)benzonitrile
OPENEYE Name: 3-amino-4-(methylamino)benzonitrile
IUPAC Name: 3-amino-4-(methylamino)benzonitrile
SYSTEMATIC NAME: 3-azanyl-4-(methylamino)benzenecarbonitrile
MOLECULAR FORMULA: C8H9N3
MOLECULAR WEIGHT: 147.17716
SMILES: CNC1=C(C=C(C=C1)C#N)N
Structure:
CAS RN: 368869-92-5
CAS Name: 2-hydrazinyl-3-pyridinecarbonitrile
OPENEYE Name: 2-hydrazinopyridine-3-carbonitrile
IUPAC Name: 2-hydrazinylpyridine-3-carbonitrile
SYSTEMATIC NAME: 2-diazanylpyridine-3-carbonitrile
MOLECULAR FORMULA: C6H6N4
MOLECULAR WEIGHT: 134.13864
SMILES: C1=CC(=C(N=C1)NN)C#N
Structure:
CAS RN: 87223-76-5
CAS Name: 2-(2-cyanoanilino)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(2-cyanoanilino)acetate
IUPAC Name: ethyl 2-(2-cyanoanilino)acetate
SYSTEMATIC NAME: ethyl 2-[(2-cyanophenyl)amino]ethanoate
MOLECULAR FORMULA: C11H12N2O2
MOLECULAR WEIGHT: 204.22518
SMILES: CCOC(=O)CNC1=CC=CC=C1C#N
Structure:
CAS RN: 64067-99-8
CAS Name: 6-chloro-2-imidazo[1,2-b]pyridazinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 6-chloroimidazo[1,2-b]pyridazine-2-carboxylate
IUPAC Name: ethyl 6-chloroimidazo[1,2-b]pyridazine-2-carboxylate
SYSTEMATIC NAME: ethyl 6-chloranylimidazo[1,2-b]pyridazine-2-carboxylate
MOLECULAR FORMULA: C9H8ClN3O2
MOLECULAR WEIGHT: 225.63172
SMILES: CCOC(=O)C1=CN2C(=N1)C=CC(=N2)Cl
Structure:
CAS RN: 55676-22-7
CAS Name: 1-(6-chloro-3-pyridinyl)ethanone
OPENEYE Name: 1-(6-chloro-3-pyridyl)ethanone
IUPAC Name: 1-(6-chloropyridin-3-yl)ethanone
SYSTEMATIC NAME: 1-(6-chloranylpyridin-3-yl)ethanone
MOLECULAR FORMULA: C7H6ClNO
MOLECULAR WEIGHT: 155.58164
SMILES: CC(=O)C1=CN=C(C=C1)Cl
Structure:
CAS RN: 85263-80-5
CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-3-pyrrolidinecarboxylic acid
OPENEYE Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-pyrrolidine-3-carboxylic acid
IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
SYSTEMATIC NAME: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylic acid
MOLECULAR FORMULA: C15H19NO5
MOLECULAR WEIGHT: 293.31506
SMILES: COC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)O)OC
Structure:
CAS RN: 85716-87-6
CAS Name: 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-isothiocyanato-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
IUPAC Name: ethyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C12H13NO2S2
MOLECULAR WEIGHT: 267.36712
SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)N=C=S
Structure:
CAS RN: 163137-44-8
CAS Name: 2-amino-5-chloro-3-pyridinesulfonamide
OPENEYE Name: 2-amino-5-chloro-pyridine-3-sulfonamide
IUPAC Name: 2-amino-5-chloropyridine-3-sulfonamide
SYSTEMATIC NAME: 2-azanyl-5-chloranyl-pyridine-3-sulfonamide
MOLECULAR FORMULA: C5H6ClN3O2S
MOLECULAR WEIGHT: 207.63804
SMILES: C1=C(C(=NC=C1Cl)N)S(=O)(=O)N
Structure:
CAS RN: 54649-21-7
CAS Name: 3-furancarboximidamide hydrochloride
OPENEYE Name: furan-3-carboxamidine hydrochloride
IUPAC Name: furan-3-carboximidamide hydrochloride
SYSTEMATIC NAME: furan-3-carboximidamide hydrochloride
MOLECULAR FORMULA: C5H7ClN2O
MOLECULAR WEIGHT: 146.57488
SMILES: C1=COC=C1C(=N)N.Cl
Structure:
CAS RN: 86847-71-4
CAS Name: N-(3-formyl-4-pyridinyl)-2,2-dimethylpropanamide
OPENEYE Name: N-(3-formyl-4-pyridyl)-2,2-dimethyl-propanamide
IUPAC Name: N-(3-formylpyridin-4-yl)-2,2-dimethylpropanamide
SYSTEMATIC NAME: N-(3-methanoylpyridin-4-yl)-2,2-dimethyl-propanamide
MOLECULAR FORMULA: C11H14N2O2
MOLECULAR WEIGHT: 206.24106
SMILES: CC(C)(C)C(=O)NC1=C(C=NC=C1)C=O
Structure:
CAS RN: 352018-91-8
CAS Name: 1-(4-cyanophenyl)-4-piperidinecarbohydrazide
OPENEYE Name: 1-(4-cyanophenyl)piperidine-4-carbohydrazide
IUPAC Name: 1-(4-cyanophenyl)piperidine-4-carbohydrazide
SYSTEMATIC NAME: 1-(4-cyanophenyl)piperidine-4-carbohydrazide
MOLECULAR FORMULA: C13H16N4O
MOLECULAR WEIGHT: 244.29234
SMILES: C1CN(CCC1C(=O)NN)C2=CC=C(C=C2)C#N
Structure:
CAS RN: 27006-82-2
CAS Name: 5-chloro-1,3-dimethyl-4-pyrazolecarboxylic acid
OPENEYE Name: 5-chloro-1,3-dimethyl-pyrazole-4-carboxylic acid
IUPAC Name: 5-chloro-1,3-dimethylpyrazole-4-carboxylic acid
SYSTEMATIC NAME: 5-chloranyl-1,3-dimethyl-pyrazole-4-carboxylic acid
MOLECULAR FORMULA: C6H7ClN2O2
MOLECULAR WEIGHT: 174.58498
SMILES: CC1=NN(C(=C1C(=O)O)Cl)C
Structure:
CAS RN: 109317-75-1
CAS Name: 1-(2,3-dihydrofuran-4-yl)-2,2,2-trifluoroethanone
OPENEYE Name: 1-(2,3-dihydrofuran-4-yl)-2,2,2-trifluoro-ethanone
IUPAC Name: 1-(2,3-dihydrofuran-4-yl)-2,2,2-trifluoroethanone
SYSTEMATIC NAME: 1-(2,3-dihydrofuran-4-yl)-2,2,2-tris(fluoranyl)ethanone
MOLECULAR FORMULA: C6H5F3O2
MOLECULAR WEIGHT: 166.09791
SMILES: C1COC=C1C(=O)C(F)(F)F
Structure:
CAS RN: 25128-35-2
CAS Name: 2,3-dioxo-1H-indole-7-carboxylic acid
OPENEYE Name: 2,3-dioxoindoline-7-carboxylic acid
IUPAC Name: 2,3-dioxo-1H-indole-7-carboxylic acid
SYSTEMATIC NAME: 2,3-bis(oxidanylidene)-1H-indole-7-carboxylic acid
MOLECULAR FORMULA: C9H5NO4
MOLECULAR WEIGHT: 191.1403
SMILES: C1=CC2=C(C(=C1)C(=O)O)NC(=O)C2=O
Structure:
CAS RN: 66417-30-9
CAS Name: 2-bromo-1-methyl-4-(trifluoromethyl)benzene
OPENEYE Name: 2-bromo-1-methyl-4-(trifluoromethyl)benzene
IUPAC Name: 2-bromo-1-methyl-4-(trifluoromethyl)benzene
SYSTEMATIC NAME: 2-bromanyl-1-methyl-4-(trifluoromethyl)benzene
MOLECULAR FORMULA: C8H6BrF3
MOLECULAR WEIGHT: 239.03245
SMILES: CC1=C(C=C(C=C1)C(F)(F)F)Br
Structure:
CAS RN: 362601-90-9
CAS Name: 2,5-difluorobenzoic acid methyl ester
OPENEYE Name: methyl 2,5-difluorobenzoate
IUPAC Name: methyl 2,5-difluorobenzoate
SYSTEMATIC NAME: methyl 2,5-bis(fluoranyl)benzoate
MOLECULAR FORMULA: C8H6F2O2
MOLECULAR WEIGHT: 172.128846
SMILES: COC(=O)C1=C(C=CC(=C1)F)F
Structure:
CAS RN: 458532-97-3
CAS Name: (3-fluoro-4-pyridinyl)boronic acid
OPENEYE Name: (3-fluoro-4-pyridyl)boronic acid
IUPAC Name: (3-fluoropyridin-4-yl)boronic acid
SYSTEMATIC NAME: (3-fluoranylpyridin-4-yl)boronic acid
MOLECULAR FORMULA: C5H5BFNO2
MOLECULAR WEIGHT: 140.908103
SMILES: B(C1=C(C=NC=C1)F)(O)O
Structure:
CAS RN: 345-69-7
CAS Name: (3-fluorophenyl)-phenylmethanone
OPENEYE Name: (3-fluorophenyl)-phenyl-methanone
IUPAC Name: (3-fluorophenyl)-phenylmethanone
SYSTEMATIC NAME: (3-fluorophenyl)-phenyl-methanone
MOLECULAR FORMULA: C13H9FO
MOLECULAR WEIGHT: 200.208363
SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)F
Structure:
CAS RN: 261952-20-9
CAS Name: 1-bromo-4-methyl-2-(trifluoromethyl)benzene
OPENEYE Name: 1-bromo-4-methyl-2-(trifluoromethyl)benzene
IUPAC Name: 1-bromo-4-methyl-2-(trifluoromethyl)benzene
SYSTEMATIC NAME: 1-bromanyl-4-methyl-2-(trifluoromethyl)benzene
MOLECULAR FORMULA: C8H6BrF3
MOLECULAR WEIGHT: 239.03245
SMILES: CC1=CC(=C(C=C1)Br)C(F)(F)F
Structure:
CAS RN: 182482-25-3
CAS Name: (2,4,6-trifluorophenyl)boronic acid
OPENEYE Name: (2,4,6-trifluorophenyl)boronic acid
IUPAC Name: (2,4,6-trifluorophenyl)boronic acid
SYSTEMATIC NAME: [2,4,6-tris(fluoranyl)phenyl]boronic acid
MOLECULAR FORMULA: C6H4BF3O2
MOLECULAR WEIGHT: 175.90097
SMILES: B(C1=C(C=C(C=C1F)F)F)(O)O
Structure:
CAS RN: 144036-17-9
CAS Name: 3-cyclopentyloxy-4-methoxybenzoic acid
OPENEYE Name: 3-(cyclopentoxy)-4-methoxy-benzoic acid
IUPAC Name: 3-cyclopentyloxy-4-methoxybenzoic acid
SYSTEMATIC NAME: 3-cyclopentyloxy-4-methoxy-benzoic acid
MOLECULAR FORMULA: C13H16O4
MOLECULAR WEIGHT: 236.26374
SMILES: COC1=C(C=C(C=C1)C(=O)O)OC2CCCC2
Structure:
CAS RN: 500912-17-4
CAS Name: 2-(bromomethyl)-1-fluoro-3-methoxybenzene
OPENEYE Name: 2-(bromomethyl)-1-fluoro-3-methoxy-benzene
IUPAC Name: 2-(bromomethyl)-1-fluoro-3-methoxybenzene
SYSTEMATIC NAME: 2-(bromomethyl)-1-fluoranyl-3-methoxy-benzene
MOLECULAR FORMULA: C8H8BrFO
MOLECULAR WEIGHT: 219.050923
SMILES: COC1=C(C(=CC=C1)F)CBr
Structure:
CAS RN: 446-59-3
CAS Name: 2-bromo-1-fluoro-3-methoxybenzene
OPENEYE Name: 2-bromo-1-fluoro-3-methoxy-benzene
IUPAC Name: 2-bromo-1-fluoro-3-methoxybenzene
SYSTEMATIC NAME: 2-bromanyl-1-fluoranyl-3-methoxy-benzene
MOLECULAR FORMULA: C7H6BrFO
MOLECULAR WEIGHT: 205.024343
SMILES: COC1=C(C(=CC=C1)F)Br
Structure:
CAS RN: 178747-79-0
CAS Name: 2-fluoro-6-methoxybenzoic acid methyl ester
OPENEYE Name: methyl 2-fluoro-6-methoxy-benzoate
IUPAC Name: methyl 2-fluoro-6-methoxybenzoate
SYSTEMATIC NAME: methyl 2-fluoranyl-6-methoxy-benzoate
MOLECULAR FORMULA: C9H9FO3
MOLECULAR WEIGHT: 184.164363
SMILES: COC1=C(C(=CC=C1)F)C(=O)OC
Structure:
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