AI29223
1299607-39-8 | 4-Chloro-1-(phenylsulfonyl)-5-(trifluoromethyl)-1h-pyrrolo[2,3-b]pyridine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI29223
ChemicalName
4-Chloro-1-(phenylsulfonyl)-5-(trifluoromethyl)-1h-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CasNumber
1299607-39-8
MolecularFormula
C15H8ClF3N2O4S
MolecularWeight
404.7482
MdlNumber
MFCD18803508
Smiles
OC(=O)c1cc2c(n1S(=O)(=O)c1ccccc1)ncc(c2Cl)C(F)(F)F
Complexity
648
Covalently-bondedUnitCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.9
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CatalogNumber: AI29223
ChemicalName: 4-Chloro-1-(phenylsulfonyl)-5-(trifluoromethyl)-1h-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CasNumber: 1299607-39-8
MolecularFormula: C15H8ClF3N2O4S
MolecularWeight: 404.7482
MdlNumber: MFCD18803508
Smiles: OC(=O)c1cc2c(n1S(=O)(=O)c1ccccc1)ncc(c2Cl)C(F)(F)F
Complexity: 648
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.9
CatalogNumber:
AI29223
ChemicalName:
4-Chloro-1-(phenylsulfonyl)-5-(trifluoromethyl)-1h-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CasNumber:
1299607-39-8
MolecularFormula:
C15H8ClF3N2O4S
MolecularWeight:
404.7482
MdlNumber:
MFCD18803508
Smiles:
OC(=O)c1cc2c(n1S(=O)(=O)c1ccccc1)ncc(c2Cl)C(F)(F)F
Complexity:
648
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.9
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Smiles: O=Cc1c(Br)cnc2c1OCCO2
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Smiles:
O=Cc1c(Br)cnc2c1OCCO2
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Smiles: COc1c(OC)ncc(c1I)Cl
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COc1c(OC)ncc(c1I)Cl
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Smiles: Brc1cnc2c(c1)c(I)c(n2S(=O)(=O)c1ccccc1)Cl
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MolecularFormula:
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Smiles:
Brc1cnc2c(c1)c(I)c(n2S(=O)(=O)c1ccccc1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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