AA36359
1261934-19-3 | 5-(3-Chloro-4-methylphenyl)nicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36359
ChemicalName
5-(3-Chloro-4-methylphenyl)nicotinic acid
CasNumber
1261934-19-3
MolecularFormula
C13H10ClNO2
MolecularWeight
247.677
MdlNumber
MFCD18317590
Smiles
OC(=O)c1cncc(c1)c1ccc(c(c1)Cl)C
Complexity
285
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3
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CatalogNumber: AA36359
ChemicalName: 5-(3-Chloro-4-methylphenyl)nicotinic acid
CasNumber: 1261934-19-3
MolecularFormula: C13H10ClNO2
MolecularWeight: 247.677
MdlNumber: MFCD18317590
Smiles: OC(=O)c1cncc(c1)c1ccc(c(c1)Cl)C
Complexity: 285
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AA36359
ChemicalName:
5-(3-Chloro-4-methylphenyl)nicotinic acid
CasNumber:
1261934-19-3
MolecularFormula:
C13H10ClNO2
MolecularWeight:
247.677
MdlNumber:
MFCD18317590
Smiles:
OC(=O)c1cncc(c1)c1ccc(c(c1)Cl)C
Complexity:
285
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: AA36360
ChemicalName: 5-(4-Fluoro-3-methoxyphenyl)nicotinic acid
CasNumber: 1261934-09-1
MolecularFormula: C13H10FNO3
MolecularWeight: 247.2218
MdlNumber: MFCD18317538
Smiles: COc1cc(ccc1F)c1cncc(c1)C(=O)O
Complexity: 300
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AA36360
ChemicalName:
5-(4-Fluoro-3-methoxyphenyl)nicotinic acid
CasNumber:
1261934-09-1
MolecularFormula:
C13H10FNO3
MolecularWeight:
247.2218
MdlNumber:
MFCD18317538
Smiles:
COc1cc(ccc1F)c1cncc(c1)C(=O)O
Complexity:
300
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.1
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Smiles: Clc1cccc(c1)c1ccc(c(c1)C(=O)O)F
Complexity: __
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Smiles:
Clc1cccc(c1)c1ccc(c(c1)C(=O)O)F
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Smiles: Fc1cc(Cl)cc(c1)c1cccc(n1)C(=O)O
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MolecularWeight:
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Smiles:
Fc1cc(Cl)cc(c1)c1cccc(n1)C(=O)O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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