AC19361
860597-16-6 | 4-Chloro-3-phenylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AC19361
ChemicalName
4-Chloro-3-phenylbenzoic acid
CasNumber
860597-16-6
MolecularFormula
C13H9ClO2
MolecularWeight
232.6624
MdlNumber
MFCD11577107
Smiles
OC(=O)c1ccc(c(c1)c1ccccc1)Cl
Complexity
248
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
4.1
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CatalogNumber: AC19361
ChemicalName: 4-Chloro-3-phenylbenzoic acid
CasNumber: 860597-16-6
MolecularFormula: C13H9ClO2
MolecularWeight: 232.6624
MdlNumber: MFCD11577107
Smiles: OC(=O)c1ccc(c(c1)c1ccccc1)Cl
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.1
CatalogNumber:
AC19361
ChemicalName:
4-Chloro-3-phenylbenzoic acid
CasNumber:
860597-16-6
MolecularFormula:
C13H9ClO2
MolecularWeight:
232.6624
MdlNumber:
MFCD11577107
Smiles:
OC(=O)c1ccc(c(c1)c1ccccc1)Cl
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: OC(=O)c1ccc(cc1)c1cccc(n1)N1CCOCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=O)c1ccc(cc1)c1cccc(n1)N1CCOCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(c1ccccn1)Cc1ccc(cc1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CN(c1ccccn1)Cc1ccc(cc1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N[C@H](C(=O)Nc1c(Br)cc(cc1CN(C1CCCCC1)C)Br)CSSC[C@@H](C(=O)Nc1c(Br)cc(cc1CN(C1CCCCC1)C)Br)NC(=O)OCc1ccccc1)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N[C@H](C(=O)Nc1c(Br)cc(cc1CN(C1CCCCC1)C)Br)CSSC[C@@H](C(=O)Nc1c(Br)cc(cc1CN(C1CCCCC1)C)Br)NC(=O)OCc1ccccc1)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__