AG66820
5728-43-8 | 4-(3-Chlorophenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG66820
ChemicalName
4-(3-Chlorophenyl)benzoic acid
CasNumber
5728-43-8
MolecularFormula
C13H9ClO2
MolecularWeight
232.6624
MdlNumber
MFCD03424593
Smiles
Clc1cccc(c1)c1ccc(cc1)C(=O)O
Complexity
246
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
4.1
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CatalogNumber: AG66820
ChemicalName: 4-(3-Chlorophenyl)benzoic acid
CasNumber: 5728-43-8
MolecularFormula: C13H9ClO2
MolecularWeight: 232.6624
MdlNumber: MFCD03424593
Smiles: Clc1cccc(c1)c1ccc(cc1)C(=O)O
Complexity: 246
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.1
CatalogNumber:
AG66820
ChemicalName:
4-(3-Chlorophenyl)benzoic acid
CasNumber:
5728-43-8
MolecularFormula:
C13H9ClO2
MolecularWeight:
232.6624
MdlNumber:
MFCD03424593
Smiles:
Clc1cccc(c1)c1ccc(cc1)C(=O)O
Complexity:
246
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(Oc1ccc2c(c1)CCCC2=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(Oc1ccc2c(c1)CCCC2=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG66823
ChemicalName: 2-Methoxy-6,7,8,9-tetrahydro-benzocyclohepten-5-one
CasNumber: 6500-65-8
MolecularFormula: C12H14O2
MolecularWeight: 190.23836
MdlNumber: MFCD07369971
Smiles: COc1ccc2c(c1)CCCCC2=O
Complexity: 212
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AG66823
ChemicalName:
2-Methoxy-6,7,8,9-tetrahydro-benzocyclohepten-5-one
CasNumber:
6500-65-8
MolecularFormula:
C12H14O2
MolecularWeight:
190.23836
MdlNumber:
MFCD07369971
Smiles:
COc1ccc2c(c1)CCCCC2=O
Complexity:
212
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.5