Saturday, July 23, 2011

http://ChemLookup.com Compounds




CAS RN: 247564-63-2
CAS Name: 4,5-difluoro-1H-indole
OPENEYE Name: 4,5-difluoro-1H-indole
IUPAC Name: 4,5-difluoro-1H-indole
SYSTEMATIC NAME: 4,5-bis(fluoranyl)-1H-indole
MOLECULAR FORMULA: C8H5F2N
MOLECULAR WEIGHT: 153.128806
SMILES: C1=CC(=C(C2=C1NC=C2)F)F
Structure:

CAS RN: 861340-10-5
CAS Name: 1H-indazole-4-carbonitrile
OPENEYE Name: 1H-indazole-4-carbonitrile
IUPAC Name: 1H-indazole-4-carbonitrile
SYSTEMATIC NAME: 1H-indazole-4-carbonitrile
MOLECULAR FORMULA: C8H5N3
MOLECULAR WEIGHT: 143.1454
SMILES: C1=CC(=C2C=NNC2=C1)C#N
Structure:

CAS RN: 351210-06-5
CAS Name: 4-methoxy-1H-indazole
OPENEYE Name: 4-methoxy-1H-indazole
IUPAC Name: 4-methoxy-1H-indazole
SYSTEMATIC NAME: 4-methoxy-1H-indazole
MOLECULAR FORMULA: C8H8N2O
MOLECULAR WEIGHT: 148.16192
SMILES: COC1=CC=CC2=C1C=NN2
Structure:

CAS RN: 1000343-69-0
CAS Name: 6-bromo-5-methyl-1H-indazole
OPENEYE Name: 6-bromo-5-methyl-1H-indazole
IUPAC Name: 6-bromo-5-methyl-1H-indazole
SYSTEMATIC NAME: 6-bromanyl-5-methyl-1H-indazole
MOLECULAR FORMULA: C8H7BrN2
MOLECULAR WEIGHT: 211.05858
SMILES: CC1=C(C=C2C(=C1)C=NN2)Br
Structure:

CAS RN: 885223-72-3
CAS Name: 5-bromo-6-methyl-1H-indazole
OPENEYE Name: 5-bromo-6-methyl-1H-indazole
IUPAC Name: 5-bromo-6-methyl-1H-indazole
SYSTEMATIC NAME: 5-bromanyl-6-methyl-1H-indazole
MOLECULAR FORMULA: C8H7BrN2
MOLECULAR WEIGHT: 211.05858
SMILES: CC1=C(C=C2C=NNC2=C1)Br
Structure:

CAS RN: 28489-47-6
CAS Name: 6-fluoro-2-methyl-3-pyridinamine
OPENEYE Name: 6-fluoro-2-methyl-pyridin-3-amine
IUPAC Name: 6-fluoro-2-methylpyridin-3-amine
SYSTEMATIC NAME: 6-fluoranyl-2-methyl-pyridin-3-amine
MOLECULAR FORMULA: C6H7FN2
MOLECULAR WEIGHT: 126.131583
SMILES: CC1=C(C=CC(=N1)F)N
Structure:

CAS RN: 23612-35-3
CAS Name: 3-nitro-1H-pyrrolo[3,2-c]pyridine
OPENEYE Name: 3-nitro-1H-pyrrolo[3,2-c]pyridine
IUPAC Name: 3-nitro-1H-pyrrolo[3,2-c]pyridine
SYSTEMATIC NAME: 3-nitro-1H-pyrrolo[3,2-c]pyridine
MOLECULAR FORMULA: C7H5N3O2
MOLECULAR WEIGHT: 163.1335
SMILES: C1=CN=CC2=C1NC=C2[N+](=O)[O-]
Structure:

CAS RN: 898748-23-7
CAS Name: 2-bromo-6-(trifluoromethyl)-1,3-benzothiazole
OPENEYE Name: 2-bromo-6-(trifluoromethyl)-1,3-benzothiazole
IUPAC Name: 2-bromo-6-(trifluoromethyl)-1,3-benzothiazole
SYSTEMATIC NAME: 2-bromanyl-6-(trifluoromethyl)-1,3-benzothiazole
MOLECULAR FORMULA: C8H3BrF3NS
MOLECULAR WEIGHT: 282.08033
SMILES: C1=CC2=C(C=C1C(F)(F)F)SC(=N2)Br
Structure:

CAS RN: 755752-82-0
CAS Name: 1H-indazole-7-carboxylic acid methyl ester
OPENEYE Name: methyl 1H-indazole-7-carboxylate
IUPAC Name: methyl 1H-indazole-7-carboxylate
SYSTEMATIC NAME: methyl 1H-indazole-7-carboxylate
MOLECULAR FORMULA: C9H8N2O2
MOLECULAR WEIGHT: 176.17202
SMILES: COC(=O)C1=CC=CC2=C1NN=C2
Structure:

CAS RN: 898746-91-3
CAS Name: 6-bromo-1H-indole-4-carboxylic acid
OPENEYE Name: 6-bromo-1H-indole-4-carboxylic acid
IUPAC Name: 6-bromo-1H-indole-4-carboxylic acid
SYSTEMATIC NAME: 6-bromanyl-1H-indole-4-carboxylic acid
MOLECULAR FORMULA: C9H6BrNO2
MOLECULAR WEIGHT: 240.05344
SMILES: C1=CNC2=C1C(=CC(=C2)Br)C(=O)O
Structure:

CAS RN: 201227-39-6
CAS Name: 5-bromo-1H-indazole-3-carbonitrile
OPENEYE Name: 5-bromo-1H-indazole-3-carbonitrile
IUPAC Name: 5-bromo-1H-indazole-3-carbonitrile
SYSTEMATIC NAME: 5-bromanyl-1H-indazole-3-carbonitrile
MOLECULAR FORMULA: C8H4BrN3
MOLECULAR WEIGHT: 222.04146
SMILES: C1=CC2=C(C=C1Br)C(=NN2)C#N
Structure:

CAS RN: 408328-13-2
CAS Name: 2,6-dibromo-1,3-benzothiazole
OPENEYE Name: 2,6-dibromo-1,3-benzothiazole
IUPAC Name: 2,6-dibromo-1,3-benzothiazole
SYSTEMATIC NAME: 2,6-bis(bromanyl)-1,3-benzothiazole
MOLECULAR FORMULA: C7H3Br2NS
MOLECULAR WEIGHT: 292.97842
SMILES: C1=CC2=C(C=C1Br)SC(=N2)Br
Structure:

CAS RN: 885271-78-3
CAS Name: 6-bromo-3-chloro-2H-indazole
OPENEYE Name: 6-bromo-3-chloro-2H-indazole
IUPAC Name: 6-bromo-3-chloro-2H-indazole
SYSTEMATIC NAME: 6-bromanyl-3-chloranyl-2H-indazole
MOLECULAR FORMULA: C7H4BrClN2
MOLECULAR WEIGHT: 231.47706
SMILES: C1=CC2=C(NN=C2C=C1Br)Cl
Structure:

CAS RN: 189882-31-3
CAS Name: 1H-pyrrolo[2,3-b]pyridin-3-amine
OPENEYE Name: 1H-pyrrolo[2,3-b]pyridin-3-amine
IUPAC Name: 1H-pyrrolo[2,3-b]pyridin-3-amine
SYSTEMATIC NAME: 1H-pyrrolo[2,3-b]pyridin-3-amine
MOLECULAR FORMULA: C7H7N3
MOLECULAR WEIGHT: 133.15058
SMILES: C1=CC2=C(NC=C2N)N=C1
Structure:

CAS RN: 885520-23-0
CAS Name: 6-bromo-4-fluoro-1H-indazole
OPENEYE Name: 6-bromo-4-fluoro-1H-indazole
IUPAC Name: 6-bromo-4-fluoro-1H-indazole
SYSTEMATIC NAME: 6-bromanyl-4-fluoranyl-1H-indazole
MOLECULAR FORMULA: C7H4BrFN2
MOLECULAR WEIGHT: 215.022463
SMILES: C1=C(C=C2C(=C1F)C=NN2)Br
Structure:

CAS RN: 207740-26-9
CAS Name: 2-[2,5-dimethoxy-4-(propylthio)phenyl]ethanamine
OPENEYE Name: 2-(2,5-dimethoxy-4-propylsulfanyl-phenyl)ethanamine
IUPAC Name: 2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine
SYSTEMATIC NAME: 2-(2,5-dimethoxy-4-propylsulfanyl-phenyl)ethanamine
MOLECULAR FORMULA: C13H21NO2S
MOLECULAR WEIGHT: 255.37634
SMILES: CCCSC1=C(C=C(C(=C1)OC)CCN)OC
Structure:

CAS RN: 885068-10-0
CAS Name: 1H-indazol-6-ylboronic acid
OPENEYE Name: 1H-indazol-6-ylboronic acid
IUPAC Name: 1H-indazol-6-ylboronic acid
SYSTEMATIC NAME: 1H-indazol-6-ylboronic acid
MOLECULAR FORMULA: C7H7BN2O2
MOLECULAR WEIGHT: 161.95368
SMILES: B(C1=CC2=C(C=C1)C=NN2)(O)O
Structure:

CAS RN: 393781-70-9
CAS Name: (2R)-2-ethyl-1-piperazinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (2R)-2-ethylpiperazine-1-carboxylate
IUPAC Name: tert-butyl (2R)-2-ethylpiperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (2R)-2-ethylpiperazine-1-carboxylate
MOLECULAR FORMULA: C11H22N2O2
MOLECULAR WEIGHT: 214.30458
SMILES: CC[C@@H]1CNCCN1C(=O)OC(C)(C)C
Structure:

CAS RN: 885271-25-0
CAS Name: 3-iodo-2H-indazole-5-carboxylic acid methyl ester
OPENEYE Name: methyl 3-iodo-2H-indazole-5-carboxylate
IUPAC Name: methyl 3-iodo-2H-indazole-5-carboxylate
SYSTEMATIC NAME: methyl 3-iodanyl-2H-indazole-5-carboxylate
MOLECULAR FORMULA: C9H7IN2O2
MOLECULAR WEIGHT: 302.06855
SMILES: COC(=O)C1=CC2=C(NN=C2C=C1)I
Structure:

CAS RN: 101664-59-9
CAS Name: 2-chloro-3,4-dimethoxypyridine hydrochloride
OPENEYE Name: 2-chloro-3,4-dimethoxy-pyridine hydrochloride
IUPAC Name: 2-chloro-3,4-dimethoxypyridine hydrochloride
SYSTEMATIC NAME: 2-chloranyl-3,4-dimethoxy-pyridine hydrochloride
MOLECULAR FORMULA: C7H9Cl2NO2
MOLECULAR WEIGHT: 210.05786
SMILES: COC1=C(C(=NC=C1)Cl)OC.Cl
Structure:

CAS RN: 36760-19-7
CAS Name: 5-bromo-3-chloro-2H-indazole
OPENEYE Name: 5-bromo-3-chloro-2H-indazole
IUPAC Name: 5-bromo-3-chloro-2H-indazole
SYSTEMATIC NAME: 5-bromanyl-3-chloranyl-2H-indazole
MOLECULAR FORMULA: C7H4BrClN2
MOLECULAR WEIGHT: 231.47706
SMILES: C1=CC2=NNC(=C2C=C1Br)Cl
Structure:

CAS RN: 885518-82-1
CAS Name: 3-iodo-2H-indazole-6-carboxylic acid methyl ester
OPENEYE Name: methyl 3-iodo-2H-indazole-6-carboxylate
IUPAC Name: methyl 3-iodo-2H-indazole-6-carboxylate
SYSTEMATIC NAME: methyl 3-iodanyl-2H-indazole-6-carboxylate
MOLECULAR FORMULA: C9H7IN2O2
MOLECULAR WEIGHT: 302.06855
SMILES: COC(=O)C1=CC2=NNC(=C2C=C1)I
Structure:

CAS RN: 885522-11-2
CAS Name: 4-iodo-1H-indazole
OPENEYE Name: 4-iodo-1H-indazole
IUPAC Name: 4-iodo-1H-indazole
SYSTEMATIC NAME: 4-iodanyl-1H-indazole
MOLECULAR FORMULA: C7H5IN2
MOLECULAR WEIGHT: 244.03247
SMILES: C1=CC2=C(C=NN2)C(=C1)I
Structure:

CAS RN: 885522-07-6
CAS Name: 6-fluoro-3-iodo-2H-indazole
OPENEYE Name: 6-fluoro-3-iodo-2H-indazole
IUPAC Name: 6-fluoro-3-iodo-2H-indazole
SYSTEMATIC NAME: 6-fluoranyl-3-iodanyl-2H-indazole
MOLECULAR FORMULA: C7H4FIN2
MOLECULAR WEIGHT: 262.022933
SMILES: C1=CC2=C(NN=C2C=C1F)I
Structure:

CAS RN: 885521-92-6
CAS Name: 6-bromo-1,2-dihydroindazol-3-one
OPENEYE Name: 6-bromo-1,2-dihydroindazol-3-one
IUPAC Name: 6-bromo-1,2-dihydroindazol-3-one
SYSTEMATIC NAME: 6-bromanyl-1,2-dihydroindazol-3-one
MOLECULAR FORMULA: C7H5BrN2O
MOLECULAR WEIGHT: 213.0314
SMILES: C1=CC2=C(C=C1Br)NNC2=O
Structure:

CAS RN: 885521-80-2
CAS Name: 4-bromo-1H-indazole-3-carboxylic acid
OPENEYE Name: 4-bromo-1H-indazole-3-carboxylic acid
IUPAC Name: 4-bromo-1H-indazole-3-carboxylic acid
SYSTEMATIC NAME: 4-bromanyl-1H-indazole-3-carboxylic acid
MOLECULAR FORMULA: C8H5BrN2O2
MOLECULAR WEIGHT: 241.0415
SMILES: C1=CC2=C(C(=C1)Br)C(=NN2)C(=O)O
Structure:

CAS RN: 78155-76-7
CAS Name: 4-nitro-1H-indazole-3-carboxylic acid
OPENEYE Name: 4-nitro-1H-indazole-3-carboxylic acid
IUPAC Name: 4-nitro-1H-indazole-3-carboxylic acid
SYSTEMATIC NAME: 4-nitro-1H-indazole-3-carboxylic acid
MOLECULAR FORMULA: C8H5N3O4
MOLECULAR WEIGHT: 207.143
SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])C(=NN2)C(=O)O
Structure:

CAS RN: 885520-33-2
CAS Name: 3-bromo-5-methylbenzenesulfonyl chloride
OPENEYE Name: 3-bromo-5-methyl-benzenesulfonyl chloride
IUPAC Name: 3-bromo-5-methylbenzenesulfonyl chloride
SYSTEMATIC NAME: 3-bromanyl-5-methyl-benzenesulfonyl chloride
MOLECULAR FORMULA: C7H6BrClO2S
MOLECULAR WEIGHT: 269.54334
SMILES: CC1=CC(=CC(=C1)Br)S(=O)(=O)Cl
Structure:

CAS RN: 885518-47-8
CAS Name: 4-bromo-1H-indazole-6-carboxylic acid methyl ester
OPENEYE Name: methyl 4-bromo-1H-indazole-6-carboxylate
IUPAC Name: methyl 4-bromo-1H-indazole-6-carboxylate
SYSTEMATIC NAME: methyl 4-bromanyl-1H-indazole-6-carboxylate
MOLECULAR FORMULA: C9H7BrN2O2
MOLECULAR WEIGHT: 255.06808
SMILES: COC(=O)C1=CC2=C(C=NN2)C(=C1)Br
Structure:

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