AC64198
7111-63-9 | 4-(2,3-Dichlorophenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AC64198
ChemicalName
4-(2,3-Dichlorophenyl)benzoic acid
CasNumber
7111-63-9
MolecularFormula
C13H8Cl2O2
MolecularWeight
267.1074
MdlNumber
MFCD11932368
Smiles
OC(=O)c1ccc(cc1)c1cccc(c1Cl)Cl
Complexity
275
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
4.3
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CatalogNumber: AC64198
ChemicalName: 4-(2,3-Dichlorophenyl)benzoic acid
CasNumber: 7111-63-9
MolecularFormula: C13H8Cl2O2
MolecularWeight: 267.1074
MdlNumber: MFCD11932368
Smiles: OC(=O)c1ccc(cc1)c1cccc(c1Cl)Cl
Complexity: 275
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.3
CatalogNumber:
AC64198
ChemicalName:
4-(2,3-Dichlorophenyl)benzoic acid
CasNumber:
7111-63-9
MolecularFormula:
C13H8Cl2O2
MolecularWeight:
267.1074
MdlNumber:
MFCD11932368
Smiles:
OC(=O)c1ccc(cc1)c1cccc(c1Cl)Cl
Complexity:
275
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.3
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Smiles: CC(=O)O[C@@H]1C[C@@H](CC=C1C)C(=C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CC(=O)O[C@@H]1C[C@@H](CC=C1C)C(=C)C
Complexity:
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Smiles: Brc1ccccc1SSc1ccccc1Br
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Smiles:
Brc1ccccc1SSc1ccccc1Br
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: C=CC1NC(=O)C(C1)C(=O)N
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HydrogenBondAcceptorCount: __
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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:
C=CC1NC(=O)C(C1)C(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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