Thursday, July 28, 2011

All Chemical Compounds Information




Product OPENEYE NAME: benzene-1,2-diamine
CAS Name: benzene-1,2-diamine
IUPAC NAME: benzene-1,2-diamine
SYSTEMATIC NAME: benzene-1,2-diamine
MOLECULAR FORMULA: C6H8N2
MOLECULAR WEIGHT: 108.14112
SMILES: C1=CC=C(C(=C1)N)N
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Product OPENEYE NAME: 2-bromophenol
CAS Name: 2-bromophenol
IUPAC NAME: 2-bromophenol
SYSTEMATIC NAME: 2-bromanylphenol
MOLECULAR FORMULA: C6H5BrO
MOLECULAR WEIGHT: 173.0073
SMILES: C1=CC=C(C(=C1)O)Br
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Product OPENEYE NAME: 2-chlorophenol
CAS Name: 2-chlorophenol
IUPAC NAME: 2-chlorophenol
SYSTEMATIC NAME: 2-chloranylphenol
MOLECULAR FORMULA: C6H5ClO
MOLECULAR WEIGHT: 128.5563
SMILES: C1=CC=C(C(=C1)O)Cl
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Product OPENEYE NAME: 2,3-dichloro-1,4-dioxane
CAS Name: 2,3-dichloro-1,4-dioxane
IUPAC NAME: 2,3-dichloro-1,4-dioxane
SYSTEMATIC NAME: 2,3-bis(chloranyl)-1,4-dioxane
MOLECULAR FORMULA: C4H6Cl2O2
MOLECULAR WEIGHT: 156.99524
SMILES: C1COC(C(O1)Cl)Cl
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Product OPENEYE NAME: 1,2,4-trimethylbenzene
CAS Name: 1,2,4-trimethylbenzene
IUPAC NAME: 1,2,4-trimethylbenzene
SYSTEMATIC NAME: 1,2,4-trimethylbenzene
MOLECULAR FORMULA: C9H12
MOLECULAR WEIGHT: 120.19158
SMILES: CC1=CC(=C(C=C1)C)C
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Product OPENEYE NAME: 3,4-dimethylaniline
CAS Name: 3,4-dimethylaniline
IUPAC NAME: 3,4-dimethylaniline
SYSTEMATIC NAME: 3,4-dimethylaniline
MOLECULAR FORMULA: C8H11N
MOLECULAR WEIGHT: 121.17964
SMILES: CC1=C(C=C(C=C1)N)C
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Product OPENEYE NAME: 3,4-dimethylphenol
CAS Name: 3,4-dimethylphenol
IUPAC NAME: 3,4-dimethylphenol
SYSTEMATIC NAME: 3,4-dimethylphenol
MOLECULAR FORMULA: C8H10O
MOLECULAR WEIGHT: 122.1644
SMILES: CC1=C(C=C(C=C1)O)C
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Product OPENEYE NAME: 2,4-dimethylaniline
CAS Name: 2,4-dimethylaniline
IUPAC NAME: 2,4-dimethylaniline
SYSTEMATIC NAME: 2,4-dimethylaniline
MOLECULAR FORMULA: C8H11N
MOLECULAR WEIGHT: 121.17964
SMILES: CC1=CC(=C(C=C1)N)C
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Product OPENEYE NAME: 4-chloro-2-methyl-aniline
CAS Name: 4-chloro-2-methylaniline
IUPAC NAME: 4-chloro-2-methylaniline
SYSTEMATIC NAME: 4-chloranyl-2-methyl-aniline
MOLECULAR FORMULA: C7H8ClN
MOLECULAR WEIGHT: 141.59812
SMILES: CC1=C(C=CC(=C1)Cl)N
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Product OPENEYE NAME: 2-methylbenzene-1,4-diamine
CAS Name: 2-methylbenzene-1,4-diamine
IUPAC NAME: 2-methylbenzene-1,4-diamine
SYSTEMATIC NAME: 2-methylbenzene-1,4-diamine
MOLECULAR FORMULA: C7H10N2
MOLECULAR WEIGHT: 122.1677
SMILES: CC1=C(C=CC(=C1)N)N
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Product OPENEYE NAME: 2-methylbenzene-1,4-diol
CAS Name: 2-methylbenzene-1,4-diol
IUPAC NAME: 2-methylbenzene-1,4-diol
SYSTEMATIC NAME: 2-methylbenzene-1,4-diol
MOLECULAR FORMULA: C7H8O2
MOLECULAR WEIGHT: 124.13722
SMILES: CC1=C(C=CC(=C1)O)O
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Product OPENEYE NAME: 2,4-dichloro-1-methyl-benzene
CAS Name: 2,4-dichloro-1-methylbenzene
IUPAC NAME: 2,4-dichloro-1-methylbenzene
SYSTEMATIC NAME: 2,4-bis(chloranyl)-1-methyl-benzene
MOLECULAR FORMULA: C7H6Cl2
MOLECULAR WEIGHT: 161.02854
SMILES: CC1=C(C=C(C=C1)Cl)Cl
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Product OPENEYE NAME: 3-chloro-4-methyl-aniline
CAS Name: 3-chloro-4-methylaniline
IUPAC NAME: 3-chloro-4-methylaniline
SYSTEMATIC NAME: 3-chloranyl-4-methyl-aniline
MOLECULAR FORMULA: C7H8ClN
MOLECULAR WEIGHT: 141.59812
SMILES: CC1=C(C=C(C=C1)N)Cl
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Product OPENEYE NAME: 1,2-dichloro-4-methyl-benzene
CAS Name: 1,2-dichloro-4-methylbenzene
IUPAC NAME: 1,2-dichloro-4-methylbenzene
SYSTEMATIC NAME: 1,2-bis(chloranyl)-4-methyl-benzene
MOLECULAR FORMULA: C7H6Cl2
MOLECULAR WEIGHT: 161.02854
SMILES: CC1=CC(=C(C=C1)Cl)Cl
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Product OPENEYE NAME: 3,4-dichloroaniline
CAS Name: 3,4-dichloroaniline
IUPAC NAME: 3,4-dichloroaniline
SYSTEMATIC NAME: 3,4-bis(chloranyl)aniline
MOLECULAR FORMULA: C6H5Cl2N
MOLECULAR WEIGHT: 162.0166
SMILES: C1=CC(=C(C=C1N)Cl)Cl
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Product OPENEYE NAME: 3,4-dichlorophenol
CAS Name: 3,4-dichlorophenol
IUPAC NAME: 3,4-dichlorophenol
SYSTEMATIC NAME: 3,4-bis(chloranyl)phenol
MOLECULAR FORMULA: C6H4Cl2O
MOLECULAR WEIGHT: 163.00136
SMILES: C1=CC(=C(C=C1O)Cl)Cl
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Product OPENEYE NAME: 2,5-dimethylaniline
CAS Name: 2,5-dimethylaniline
IUPAC NAME: 2,5-dimethylaniline
SYSTEMATIC NAME: 2,5-dimethylaniline
MOLECULAR FORMULA: C8H11N
MOLECULAR WEIGHT: 121.17964
SMILES: CC1=CC(=C(C=C1)C)N
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Product OPENEYE NAME: 5-chloro-2-methyl-aniline
CAS Name: 5-chloro-2-methylaniline
IUPAC NAME: 5-chloro-2-methylaniline
SYSTEMATIC NAME: 5-chloranyl-2-methyl-aniline
MOLECULAR FORMULA: C7H8ClN
MOLECULAR WEIGHT: 141.59812
SMILES: CC1=C(C=C(C=C1)Cl)N
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Product OPENEYE NAME: 4-methylbenzene-1,3-diamine
CAS Name: 4-methylbenzene-1,3-diamine
IUPAC NAME: 4-methylbenzene-1,3-diamine
SYSTEMATIC NAME: 4-methylbenzene-1,3-diamine
MOLECULAR FORMULA: C7H10N2
MOLECULAR WEIGHT: 122.1677
SMILES: CC1=C(C=C(C=C1)N)N
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Product OPENEYE NAME: 2,5-dichloroaniline
CAS Name: 2,5-dichloroaniline
IUPAC NAME: 2,5-dichloroaniline
SYSTEMATIC NAME: 2,5-bis(chloranyl)aniline
MOLECULAR FORMULA: C6H5Cl2N
MOLECULAR WEIGHT: 162.0166
SMILES: C1=CC(=C(C=C1Cl)N)Cl
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Product OPENEYE NAME: 4-chlorobenzene-1,2-diamine
CAS Name: 4-chlorobenzene-1,2-diamine
IUPAC NAME: 4-chlorobenzene-1,2-diamine
SYSTEMATIC NAME: 4-chloranylbenzene-1,2-diamine
MOLECULAR FORMULA: C6H7ClN2
MOLECULAR WEIGHT: 142.58618
SMILES: C1=CC(=C(C=C1Cl)N)N
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Product OPENEYE NAME: 2-amino-4-methyl-phenol
CAS Name: 2-amino-4-methylphenol
IUPAC NAME: 2-amino-4-methylphenol
SYSTEMATIC NAME: 2-azanyl-4-methyl-phenol
MOLECULAR FORMULA: C7H9NO
MOLECULAR WEIGHT: 123.15246
SMILES: CC1=CC(=C(C=C1)O)N
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Product OPENEYE NAME: 2-amino-4-chloro-phenol
CAS Name: 2-amino-4-chlorophenol
IUPAC NAME: 2-amino-4-chlorophenol
SYSTEMATIC NAME: 2-azanyl-4-chloranyl-phenol
MOLECULAR FORMULA: C6H6ClNO
MOLECULAR WEIGHT: 143.57094
SMILES: C1=CC(=C(C=C1Cl)N)O
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