AE62479
1261914-46-8 | 5-Chloro-3-(3,5-dichlorophenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE62479
ChemicalName
5-Chloro-3-(3,5-dichlorophenyl)benzoic acid
CasNumber
1261914-46-8
MolecularFormula
C13H7Cl3O2
MolecularWeight
301.5525
MdlNumber
MFCD18321927
Smiles
Clc1cc(cc(c1)C(=O)O)c1cc(Cl)cc(c1)Cl
Complexity
301
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
5
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CatalogNumber: AE62479
ChemicalName: 5-Chloro-3-(3,5-dichlorophenyl)benzoic acid
CasNumber: 1261914-46-8
MolecularFormula: C13H7Cl3O2
MolecularWeight: 301.5525
MdlNumber: MFCD18321927
Smiles: Clc1cc(cc(c1)C(=O)O)c1cc(Cl)cc(c1)Cl
Complexity: 301
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 5
CatalogNumber:
AE62479
ChemicalName:
5-Chloro-3-(3,5-dichlorophenyl)benzoic acid
CasNumber:
1261914-46-8
MolecularFormula:
C13H7Cl3O2
MolecularWeight:
301.5525
MdlNumber:
MFCD18321927
Smiles:
Clc1cc(cc(c1)C(=O)O)c1cc(Cl)cc(c1)Cl
Complexity:
301
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOc1ccc(c(c1)c1cccc(c1C)C(=O)O)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOc1ccc(c(c1)c1cccc(c1C)C(=O)O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE62481
ChemicalName: 5-Chloro-3-(4-fluorophenyl)benzoic acid
CasNumber: 1214344-28-1
MolecularFormula: C13H8ClFO2
MolecularWeight: 250.6528
MdlNumber: MFCD14701412
Smiles: Clc1cc(cc(c1)C(=O)O)c1ccc(cc1)F
Complexity: 277
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.8
CatalogNumber:
AE62481
ChemicalName:
5-Chloro-3-(4-fluorophenyl)benzoic acid
CasNumber:
1214344-28-1
MolecularFormula:
C13H8ClFO2
MolecularWeight:
250.6528
MdlNumber:
MFCD14701412
Smiles:
Clc1cc(cc(c1)C(=O)O)c1ccc(cc1)F
Complexity:
277
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.8
CatalogNumber: AE62482
ChemicalName: 4-(3-Chloro-5-fluorophenyl)-2-fluorobenzonitrile
CasNumber: 1393442-55-1
MolecularFormula: C13H6ClF2N
MolecularWeight: 249.6432
MdlNumber: MFCD22383721
Smiles: N#Cc1ccc(cc1F)c1cc(F)cc(c1)Cl
Complexity: 314
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 4.1
CatalogNumber:
AE62482
ChemicalName:
4-(3-Chloro-5-fluorophenyl)-2-fluorobenzonitrile
CasNumber:
1393442-55-1
MolecularFormula:
C13H6ClF2N
MolecularWeight:
249.6432
MdlNumber:
MFCD22383721
Smiles:
N#Cc1ccc(cc1F)c1cc(F)cc(c1)Cl
Complexity:
314
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
4.1