AA49097
1365272-57-6 | 5-(2-Chloro-5-methylphenyl)pyridine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA49097
ChemicalName
5-(2-Chloro-5-methylphenyl)pyridine-3-carboxylic acid
CasNumber
1365272-57-6
MolecularFormula
C13H10ClNO2
MolecularWeight
247.677
MdlNumber
MFCD21609605
Smiles
Cc1ccc(c(c1)c1cncc(c1)C(=O)O)Cl
Complexity
285
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3
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CatalogNumber: AA49097
ChemicalName: 5-(2-Chloro-5-methylphenyl)pyridine-3-carboxylic acid
CasNumber: 1365272-57-6
MolecularFormula: C13H10ClNO2
MolecularWeight: 247.677
MdlNumber: MFCD21609605
Smiles: Cc1ccc(c(c1)c1cncc(c1)C(=O)O)Cl
Complexity: 285
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AA49097
ChemicalName:
5-(2-Chloro-5-methylphenyl)pyridine-3-carboxylic acid
CasNumber:
1365272-57-6
MolecularFormula:
C13H10ClNO2
MolecularWeight:
247.677
MdlNumber:
MFCD21609605
Smiles:
Cc1ccc(c(c1)c1cncc(c1)C(=O)O)Cl
Complexity:
285
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: AA49098
ChemicalName: 3-(5-Fluoro-2-methoxyphenyl)benzonitrile
CasNumber: 1365272-56-5
MolecularFormula: C14H10FNO
MolecularWeight: 227.2337
MdlNumber: MFCD21609600
Smiles: COc1ccc(cc1c1cccc(c1)C#N)F
Complexity: 298
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AA49098
ChemicalName:
3-(5-Fluoro-2-methoxyphenyl)benzonitrile
CasNumber:
1365272-56-5
MolecularFormula:
C14H10FNO
MolecularWeight:
227.2337
MdlNumber:
MFCD21609600
Smiles:
COc1ccc(cc1c1cccc(c1)C#N)F
Complexity:
298
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.3
CatalogNumber: AA49099
ChemicalName: Methyl 4-[2-fluoro-3-(trifluoromethyl)phenyl]benzoate
CasNumber: 1365273-05-7
MolecularFormula: C15H10F4O2
MolecularWeight: 298.2323
MdlNumber: MFCD21609728
Smiles: COC(=O)c1ccc(cc1)c1cccc(c1F)C(F)(F)F
Complexity: 361
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 4.4
CatalogNumber:
AA49099
ChemicalName:
Methyl 4-[2-fluoro-3-(trifluoromethyl)phenyl]benzoate
CasNumber:
1365273-05-7
MolecularFormula:
C15H10F4O2
MolecularWeight:
298.2323
MdlNumber:
MFCD21609728
Smiles:
COC(=O)c1ccc(cc1)c1cccc(c1F)C(F)(F)F
Complexity:
361
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
4.4
CatalogNumber: AA49100
ChemicalName: Methyl 3-fluoro-5-(3-fluoropyridin-2-yl)benzoate
CasNumber: 1365273-04-6
MolecularFormula: C13H9F2NO2
MolecularWeight: 249.2129
MdlNumber: MFCD21609726
Smiles: COC(=O)c1cc(F)cc(c1)c1ncccc1F
Complexity: 301
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2.6
CatalogNumber:
AA49100
ChemicalName:
Methyl 3-fluoro-5-(3-fluoropyridin-2-yl)benzoate
CasNumber:
1365273-04-6
MolecularFormula:
C13H9F2NO2
MolecularWeight:
249.2129
MdlNumber:
MFCD21609726
Smiles:
COC(=O)c1cc(F)cc(c1)c1ncccc1F
Complexity:
301
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2.6