AE62489
1261960-17-1 | 5-(3-Chloro-4-methoxyphenyl)nicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AE62489
ChemicalName
5-(3-Chloro-4-methoxyphenyl)nicotinic acid
CasNumber
1261960-17-1
MolecularFormula
C13H10ClNO3
MolecularWeight
263.6764
MdlNumber
MFCD16200869
Smiles
COc1ccc(cc1Cl)c1cncc(c1)C(=O)O
Complexity
300
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.6
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CatalogNumber: AE62489
ChemicalName: 5-(3-Chloro-4-methoxyphenyl)nicotinic acid
CasNumber: 1261960-17-1
MolecularFormula: C13H10ClNO3
MolecularWeight: 263.6764
MdlNumber: MFCD16200869
Smiles: COc1ccc(cc1Cl)c1cncc(c1)C(=O)O
Complexity: 300
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.6
CatalogNumber:
AE62489
ChemicalName:
5-(3-Chloro-4-methoxyphenyl)nicotinic acid
CasNumber:
1261960-17-1
MolecularFormula:
C13H10ClNO3
MolecularWeight:
263.6764
MdlNumber:
MFCD16200869
Smiles:
COc1ccc(cc1Cl)c1cncc(c1)C(=O)O
Complexity:
300
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc(c(c1)c1ccccc1C)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(c(c1)c1ccccc1C)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE62491
ChemicalName: 5-(4-Chloro-3-methylphenyl)-6-hydroxynicotinic acid
CasNumber: 1262006-39-2
MolecularFormula: C13H10ClNO3
MolecularWeight: 263.6764
MdlNumber: MFCD18317651
Smiles: OC(=O)c1cnc(c(c1)c1ccc(c(c1)C)Cl)O
Complexity: 442
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AE62491
ChemicalName:
5-(4-Chloro-3-methylphenyl)-6-hydroxynicotinic acid
CasNumber:
1262006-39-2
MolecularFormula:
C13H10ClNO3
MolecularWeight:
263.6764
MdlNumber:
MFCD18317651
Smiles:
OC(=O)c1cnc(c(c1)c1ccc(c(c1)C)Cl)O
Complexity:
442
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1cc(Br)cc(c1)C(=O)N(C)C
Complexity: 196
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1cc(Br)cc(c1)C(=O)N(C)C
Complexity:
196
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.4