AG76939
5728-44-9 | 4-(2-Cyanophenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG76939
ChemicalName
4-(2-Cyanophenyl)benzoic acid
CasNumber
5728-44-9
MolecularFormula
C14H9NO2
MolecularWeight
223.2268
MdlNumber
MFCD06802562
Smiles
N#Cc1ccccc1c1ccc(cc1)C(=O)O
Complexity
322
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.1
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CatalogNumber: AG76939
ChemicalName: 4-(2-Cyanophenyl)benzoic acid
CasNumber: 5728-44-9
MolecularFormula: C14H9NO2
MolecularWeight: 223.2268
MdlNumber: MFCD06802562
Smiles: N#Cc1ccccc1c1ccc(cc1)C(=O)O
Complexity: 322
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AG76939
ChemicalName:
4-(2-Cyanophenyl)benzoic acid
CasNumber:
5728-44-9
MolecularFormula:
C14H9NO2
MolecularWeight:
223.2268
MdlNumber:
MFCD06802562
Smiles:
N#Cc1ccccc1c1ccc(cc1)C(=O)O
Complexity:
322
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.1
CatalogNumber: __
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MolecularFormula: __
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Smiles: C1=CC(=NC=C1C(=O)O)C2=CC=C(S2)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
C1=CC(=NC=C1C(=O)O)C2=CC=C(S2)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1ccc(cc1)c1cccc(c1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1ccc(cc1)c1cccc(c1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc(cc1)c1ccc(s1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(cc1)c1ccc(s1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__