AB95287
883528-25-4 | 2-(4-Fluorophenyl)isonicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AB95287
ChemicalName
2-(4-Fluorophenyl)isonicotinic acid
CasNumber
883528-25-4
MolecularFormula
C12H8FNO2
MolecularWeight
217.1958
MdlNumber
MFCD14666481
Smiles
Fc1ccc(cc1)c1nccc(c1)C(=O)O
Complexity
251
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.5
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CatalogNumber: AB95287
ChemicalName: 2-(4-Fluorophenyl)isonicotinic acid
CasNumber: 883528-25-4
MolecularFormula: C12H8FNO2
MolecularWeight: 217.1958
MdlNumber: MFCD14666481
Smiles: Fc1ccc(cc1)c1nccc(c1)C(=O)O
Complexity: 251
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AB95287
ChemicalName:
2-(4-Fluorophenyl)isonicotinic acid
CasNumber:
883528-25-4
MolecularFormula:
C12H8FNO2
MolecularWeight:
217.1958
MdlNumber:
MFCD14666481
Smiles:
Fc1ccc(cc1)c1nccc(c1)C(=O)O
Complexity:
251
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.5
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Smiles: O=Cc1cc2c(n1C)ccc(c2)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=Cc1cc2c(n1C)ccc(c2)C
Complexity:
__
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__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: NCCOCC1CC1
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Smiles:
NCCOCC1CC1
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O=Cc1ccc(c(c1)F)N1CCN(CC1)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=Cc1ccc(c(c1)F)N1CCN(CC1)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__