AF68974
411206-92-3 | 4-(3-Nitrophenyl)benzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AF68974
ChemicalName
4-(3-Nitrophenyl)benzaldehyde
CasNumber
411206-92-3
MolecularFormula
C13H9NO3
MolecularWeight
227.2155
MdlNumber
MFCD06803015
Smiles
O=Cc1ccc(cc1)c1cccc(c1)[N+](=O)[O-]
Complexity
279
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
3.3
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CatalogNumber: AF68974
ChemicalName: 4-(3-Nitrophenyl)benzaldehyde
CasNumber: 411206-92-3
MolecularFormula: C13H9NO3
MolecularWeight: 227.2155
MdlNumber: MFCD06803015
Smiles: O=Cc1ccc(cc1)c1cccc(c1)[N+](=O)[O-]
Complexity: 279
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AF68974
ChemicalName:
4-(3-Nitrophenyl)benzaldehyde
CasNumber:
411206-92-3
MolecularFormula:
C13H9NO3
MolecularWeight:
227.2155
MdlNumber:
MFCD06803015
Smiles:
O=Cc1ccc(cc1)c1cccc(c1)[N+](=O)[O-]
Complexity:
279
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
3.3
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Smiles: C1CC(CCC1CNC(=O)CI)C(=O)ON2C(=O)CCC2=O
Complexity: __
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HeavyAtomCount: __
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Smiles:
C1CC(CCC1CNC(=O)CI)C(=O)ON2C(=O)CCC2=O
Complexity:
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Smiles: C1CCc2c(C1)[nH]cn2
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Smiles:
C1CCc2c(C1)[nH]cn2
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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MolecularFormula: __
MolecularWeight: __
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Smiles: O=C(NC1(CCS(=O)(=O)CC1)C(=O)O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(NC1(CCS(=O)(=O)CC1)C(=O)O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__