AI59105
883107-39-9 | 3-(4-Chlorophenyl)isonicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AI59105
ChemicalName
3-(4-Chlorophenyl)isonicotinic acid
CasNumber
883107-39-9
MolecularFormula
C12H8ClNO2
MolecularWeight
233.6504
MdlNumber
MFCD18085888
Smiles
Clc1ccc(cc1)c1cnccc1C(=O)O
Complexity
251
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AI59105
ChemicalName: 3-(4-Chlorophenyl)isonicotinic acid
CasNumber: 883107-39-9
MolecularFormula: C12H8ClNO2
MolecularWeight: 233.6504
MdlNumber: MFCD18085888
Smiles: Clc1ccc(cc1)c1cnccc1C(=O)O
Complexity: 251
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AI59105
ChemicalName:
3-(4-Chlorophenyl)isonicotinic acid
CasNumber:
883107-39-9
MolecularFormula:
C12H8ClNO2
MolecularWeight:
233.6504
MdlNumber:
MFCD18085888
Smiles:
Clc1ccc(cc1)c1cnccc1C(=O)O
Complexity:
251
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.6
CatalogNumber: __
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MolecularFormula: __
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Smiles: O=c1cc[nH]c(c1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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Smiles:
O=c1cc[nH]c(c1)c1ccccc1
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: Nc1cc(O)cc(c1)Cl
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Xlogp3: __
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ChemicalName:
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Smiles:
Nc1cc(O)cc(c1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(c1ccc(nc1)n1cncn1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(c1ccc(nc1)n1cncn1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__