AB67226
85-56-3 | 2-(4-Chlorobenzoyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB67226
ChemicalName
2-(4-Chlorobenzoyl)benzoic acid
CasNumber
85-56-3
MolecularFormula
C14H9ClO3
MolecularWeight
260.6725
MdlNumber
MFCD00002474
Smiles
Clc1ccc(cc1)C(=O)c1ccccc1C(=O)O
NscNumber
7825
Complexity
321
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.1
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CatalogNumber: AB67226
ChemicalName: 2-(4-Chlorobenzoyl)benzoic acid
CasNumber: 85-56-3
MolecularFormula: C14H9ClO3
MolecularWeight: 260.6725
MdlNumber: MFCD00002474
Smiles: Clc1ccc(cc1)C(=O)c1ccccc1C(=O)O
NscNumber: 7825
Complexity: 321
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.1
CatalogNumber:
AB67226
ChemicalName:
2-(4-Chlorobenzoyl)benzoic acid
CasNumber:
85-56-3
MolecularFormula:
C14H9ClO3
MolecularWeight:
260.6725
MdlNumber:
MFCD00002474
Smiles:
Clc1ccc(cc1)C(=O)c1ccccc1C(=O)O
NscNumber:
7825
Complexity:
321
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: Clc1ccc(cc1)C(Cl)(Cl)Cl
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Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularWeight:
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Smiles:
Clc1ccc(cc1)C(Cl)(Cl)Cl
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc(cc1)C(=O)Cl
NscNumber: __
Complexity: 128
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Clc1ccc(cc1)C(=O)Cl
NscNumber:
__
Complexity:
128
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.6
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CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc(cc1)C(=O)NC(C(=O)[O-])Cc1c[nH]c2c1cccc2.Clc1ccc(cc1)C(=O)NC(C(=O)[O-])Cc1c[nH]c2c1cccc2.[Ca+2]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc(cc1)C(=O)NC(C(=O)[O-])Cc1c[nH]c2c1cccc2.Clc1ccc(cc1)C(=O)NC(C(=O)[O-])Cc1c[nH]c2c1cccc2.[Ca+2]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__