AF84141
31676-66-1 | 6-(4-Chlorophenyl)nicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AF84141
ChemicalName
6-(4-Chlorophenyl)nicotinic acid
CasNumber
31676-66-1
MolecularFormula
C12H8ClNO2
MolecularWeight
233.6504
MdlNumber
MFCD06410394
Smiles
Clc1ccc(cc1)c1ccc(cn1)C(=O)O
Complexity
251
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.7
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CatalogNumber: AF84141
ChemicalName: 6-(4-Chlorophenyl)nicotinic acid
CasNumber: 31676-66-1
MolecularFormula: C12H8ClNO2
MolecularWeight: 233.6504
MdlNumber: MFCD06410394
Smiles: Clc1ccc(cc1)c1ccc(cn1)C(=O)O
Complexity: 251
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AF84141
ChemicalName:
6-(4-Chlorophenyl)nicotinic acid
CasNumber:
31676-66-1
MolecularFormula:
C12H8ClNO2
MolecularWeight:
233.6504
MdlNumber:
MFCD06410394
Smiles:
Clc1ccc(cc1)c1ccc(cn1)C(=O)O
Complexity:
251
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1=CC(=CC(=C1)C=O)C2=C(C=C(C=C2)C(F)(F)F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1=CC(=CC(=C1)C=O)C2=C(C=C(C=C2)C(F)(F)F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1=CC2=C(C(=C1)C3=CC=C(C=C3)C=O)N=CC=C2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1=CC2=C(C(=C1)C3=CC=C(C=C3)C=O)N=CC=C2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AF84144
ChemicalName: 4-(2-Nitrophenyl)benzoic acid
CasNumber: 3215-92-7
MolecularFormula: C13H9NO4
MolecularWeight: 243.2149
MdlNumber: MFCD06208206
Smiles: [O-][N+](=O)c1ccccc1c1ccc(cc1)C(=O)O
Complexity: 317
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AF84144
ChemicalName:
4-(2-Nitrophenyl)benzoic acid
CasNumber:
3215-92-7
MolecularFormula:
C13H9NO4
MolecularWeight:
243.2149
MdlNumber:
MFCD06208206
Smiles:
[O-][N+](=O)c1ccccc1c1ccc(cc1)C(=O)O
Complexity:
317
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.9