AI61435
916849-01-9 | 2-(3,4-Dichlorophenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI61435
ChemicalName
2-(3,4-Dichlorophenyl)benzoic acid
CasNumber
916849-01-9
MolecularFormula
C13H8Cl2O2
MolecularWeight
267.1074
MdlNumber
MFCD09042379
Smiles
OC(=O)c1ccccc1c1ccc(c(c1)Cl)Cl
Complexity
283
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
4.8
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CatalogNumber: AI61435
ChemicalName: 2-(3,4-Dichlorophenyl)benzoic acid
CasNumber: 916849-01-9
MolecularFormula: C13H8Cl2O2
MolecularWeight: 267.1074
MdlNumber: MFCD09042379
Smiles: OC(=O)c1ccccc1c1ccc(c(c1)Cl)Cl
Complexity: 283
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.8
CatalogNumber:
AI61435
ChemicalName:
2-(3,4-Dichlorophenyl)benzoic acid
CasNumber:
916849-01-9
MolecularFormula:
C13H8Cl2O2
MolecularWeight:
267.1074
MdlNumber:
MFCD09042379
Smiles:
OC(=O)c1ccccc1c1ccc(c(c1)Cl)Cl
Complexity:
283
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(c1ccccc1)C1CCNCC1.Cl
Complexity: 160
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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__
CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OC(c1ccccc1)C1CCNCC1.Cl
Complexity:
160
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: NCCc1c[nH]c2c1cc(O)cn2
Complexity: __
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Smiles:
NCCc1c[nH]c2c1cc(O)cn2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: O=C(N1CC(C1)c1cccc(c1)OCc1ccccc1)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CC(C1)c1cccc(c1)OCc1ccccc1)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__