AA36321
1261929-46-7 | 4-Chloro-2-(4-formylphenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36321
ChemicalName
4-Chloro-2-(4-formylphenyl)benzoic acid
CasNumber
1261929-46-7
MolecularFormula
C14H9ClO3
MolecularWeight
260.6725
MdlNumber
MFCD18319256
Smiles
O=Cc1ccc(cc1)c1cc(Cl)ccc1C(=O)O
Complexity
310
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.5
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CatalogNumber: AA36321
ChemicalName: 4-Chloro-2-(4-formylphenyl)benzoic acid
CasNumber: 1261929-46-7
MolecularFormula: C14H9ClO3
MolecularWeight: 260.6725
MdlNumber: MFCD18319256
Smiles: O=Cc1ccc(cc1)c1cc(Cl)ccc1C(=O)O
Complexity: 310
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.5
CatalogNumber:
AA36321
ChemicalName:
4-Chloro-2-(4-formylphenyl)benzoic acid
CasNumber:
1261929-46-7
MolecularFormula:
C14H9ClO3
MolecularWeight:
260.6725
MdlNumber:
MFCD18319256
Smiles:
O=Cc1ccc(cc1)c1cc(Cl)ccc1C(=O)O
Complexity:
310
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cc(cc(c1)C(=O)O)c1cccc(c1)Cl
Complexity: 285
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cc(cc(c1)C(=O)O)c1cccc(c1)Cl
Complexity:
285
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.8
CatalogNumber: AA36323
ChemicalName: 4-(4-Carboxy-3-fluorophenyl)-2-fluorobenzoic acid
CasNumber: 1261929-07-0
MolecularFormula: C14H8F2O4
MolecularWeight: 278.2077264
MdlNumber: MFCD18321501
Smiles: OC(=O)c1ccc(cc1F)c1ccc(c(c1)F)C(=O)O
Complexity: 351
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AA36323
ChemicalName:
4-(4-Carboxy-3-fluorophenyl)-2-fluorobenzoic acid
CasNumber:
1261929-07-0
MolecularFormula:
C14H8F2O4
MolecularWeight:
278.2077264
MdlNumber:
MFCD18321501
Smiles:
OC(=O)c1ccc(cc1F)c1ccc(c(c1)F)C(=O)O
Complexity:
351
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cccc(c1)c1ccc(c(c1)F)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cccc(c1)c1ccc(c(c1)F)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__