AD25469
1352318-62-7 | 3-(6-Chloro-2-methylpyridin-3-yl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD25469
ChemicalName
3-(6-Chloro-2-methylpyridin-3-yl)benzoic acid
CasNumber
1352318-62-7
MolecularFormula
C13H10ClNO2
MolecularWeight
247.677
MdlNumber
MFCD20529482
Smiles
Clc1ccc(c(n1)C)c1cccc(c1)C(=O)O
Complexity
285
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.4
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CatalogNumber: AD25469
ChemicalName: 3-(6-Chloro-2-methylpyridin-3-yl)benzoic acid
CasNumber: 1352318-62-7
MolecularFormula: C13H10ClNO2
MolecularWeight: 247.677
MdlNumber: MFCD20529482
Smiles: Clc1ccc(c(n1)C)c1cccc(c1)C(=O)O
Complexity: 285
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AD25469
ChemicalName:
3-(6-Chloro-2-methylpyridin-3-yl)benzoic acid
CasNumber:
1352318-62-7
MolecularFormula:
C13H10ClNO2
MolecularWeight:
247.677
MdlNumber:
MFCD20529482
Smiles:
Clc1ccc(c(n1)C)c1cccc(c1)C(=O)O
Complexity:
285
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1ccc(cc1)c1ccc(c(c1)F)C
Complexity: 271
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1ccc(cc1)c1ccc(c(c1)F)C
Complexity:
271
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.8
CatalogNumber: AD25471
ChemicalName: 2-(3,4-Dichlorophenyl)benzonitrile
CasNumber: 1352318-58-1
MolecularFormula: C13H7Cl2N
MolecularWeight: 248.1074
MdlNumber: MFCD20529503
Smiles: N#Cc1ccccc1c1ccc(c(c1)Cl)Cl
Complexity: 283
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 5
CatalogNumber:
AD25471
ChemicalName:
2-(3,4-Dichlorophenyl)benzonitrile
CasNumber:
1352318-58-1
MolecularFormula:
C13H7Cl2N
MolecularWeight:
248.1074
MdlNumber:
MFCD20529503
Smiles:
N#Cc1ccccc1c1ccc(c(c1)Cl)Cl
Complexity:
283
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
5
CatalogNumber: AD25472
ChemicalName: 4-(3-Fluoro-4-methylphenyl)benzonitrile
CasNumber: 1352318-56-9
MolecularFormula: C14H10FN
MolecularWeight: 211.2343
MdlNumber: MFCD20529469
Smiles: N#Cc1ccc(cc1)c1ccc(c(c1)F)C
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.7
CatalogNumber:
AD25472
ChemicalName:
4-(3-Fluoro-4-methylphenyl)benzonitrile
CasNumber:
1352318-56-9
MolecularFormula:
C14H10FN
MolecularWeight:
211.2343
MdlNumber:
MFCD20529469
Smiles:
N#Cc1ccc(cc1)c1ccc(c(c1)F)C
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.7