AF82155
35776-95-5 | 4-(4-Methylbenzoyl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AF82155
ChemicalName
4-(4-Methylbenzoyl)benzonitrile
CasNumber
35776-95-5
MolecularFormula
C15H11NO
MolecularWeight
221.2539
MdlNumber
MFCD04113854
Smiles
N#Cc1ccc(cc1)C(=O)c1ccc(cc1)C
Complexity
311
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
3.3
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CatalogNumber: AF82155
ChemicalName: 4-(4-Methylbenzoyl)benzonitrile
CasNumber: 35776-95-5
MolecularFormula: C15H11NO
MolecularWeight: 221.2539
MdlNumber: MFCD04113854
Smiles: N#Cc1ccc(cc1)C(=O)c1ccc(cc1)C
Complexity: 311
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AF82155
ChemicalName:
4-(4-Methylbenzoyl)benzonitrile
CasNumber:
35776-95-5
MolecularFormula:
C15H11NO
MolecularWeight:
221.2539
MdlNumber:
MFCD04113854
Smiles:
N#Cc1ccc(cc1)C(=O)c1ccc(cc1)C
Complexity:
311
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
3.3
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Smiles: Cc1cc(C)cc(c1S(=O)(=O)F)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Cc1cc(C)cc(c1S(=O)(=O)F)C
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CC(=O)Nc1cc(ccc1Cl)[N+](=O)[O-]
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Smiles:
CC(=O)Nc1cc(ccc1Cl)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=[N+]1C=CN(C(=C1)C)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=[N+]1C=CN(C(=C1)C)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__