AG71356
5728-45-0 | 4-(3-Cyanophenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG71356
ChemicalName
4-(3-Cyanophenyl)benzoic acid
CasNumber
5728-45-0
MolecularFormula
C14H9NO2
MolecularWeight
223.2268
MdlNumber
MFCD04117359
Smiles
N#Cc1cccc(c1)c1ccc(cc1)C(=O)O
Complexity
322
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.8
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CatalogNumber: AG71356
ChemicalName: 4-(3-Cyanophenyl)benzoic acid
CasNumber: 5728-45-0
MolecularFormula: C14H9NO2
MolecularWeight: 223.2268
MdlNumber: MFCD04117359
Smiles: N#Cc1cccc(c1)c1ccc(cc1)C(=O)O
Complexity: 322
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AG71356
ChemicalName:
4-(3-Cyanophenyl)benzoic acid
CasNumber:
5728-45-0
MolecularFormula:
C14H9NO2
MolecularWeight:
223.2268
MdlNumber:
MFCD04117359
Smiles:
N#Cc1cccc(c1)c1ccc(cc1)C(=O)O
Complexity:
322
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.8
CatalogNumber: __
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MolecularFormula: __
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Smiles: Cc1ccc(cc1S(=O)(=O)Cl)C(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Cc1ccc(cc1S(=O)(=O)Cl)C(C)(C)C
Complexity:
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HydrogenBondAcceptorCount:
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Smiles: CC12CC3(C)CC(C1)(N)CC(C2)(C3)O
Complexity: __
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Smiles:
CC12CC3(C)CC(C1)(N)CC(C2)(C3)O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: BrCCOc1cccc(c1)C(=O)OC
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MolecularFormula:
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MolecularWeight:
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Smiles:
BrCCOc1cccc(c1)C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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