AB68114
49678-08-2 | 4-Nitrocinnamaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB68114
ChemicalName
4-Nitrocinnamaldehyde
CasNumber
49678-08-2
MolecularFormula
C9H7NO3
MolecularWeight
177.1568
MdlNumber
MFCD00007379
Smiles
O=C/C=C/c1ccc(cc1)[N+](=O)[O-]
NscNumber
1318
Complexity
211
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
1.5
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CatalogNumber: AB68114
ChemicalName: 4-Nitrocinnamaldehyde
CasNumber: 49678-08-2
MolecularFormula: C9H7NO3
MolecularWeight: 177.1568
MdlNumber: MFCD00007379
Smiles: O=C/C=C/c1ccc(cc1)[N+](=O)[O-]
NscNumber: 1318
Complexity: 211
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AB68114
ChemicalName:
4-Nitrocinnamaldehyde
CasNumber:
49678-08-2
MolecularFormula:
C9H7NO3
MolecularWeight:
177.1568
MdlNumber:
MFCD00007379
Smiles:
O=C/C=C/c1ccc(cc1)[N+](=O)[O-]
NscNumber:
1318
Complexity:
211
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.5
CatalogNumber: AB68115
ChemicalName: 4-Nitrodiphenylamine
CasNumber: 836-30-6
MolecularFormula: C12H10N2O2
MolecularWeight: 214.22
MdlNumber: MFCD00007301
Smiles: [O-][N+](=O)c1ccc(cc1)Nc1ccccc1
NscNumber: 33836
Complexity: 226
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 3.7
CatalogNumber:
AB68115
ChemicalName:
4-Nitrodiphenylamine
CasNumber:
836-30-6
MolecularFormula:
C12H10N2O2
MolecularWeight:
214.22
MdlNumber:
MFCD00007301
Smiles:
[O-][N+](=O)c1ccc(cc1)Nc1ccccc1
NscNumber:
33836
Complexity:
226
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H](Cc1ccc(cc1)[N+](=O)[O-])N
NscNumber: __
Complexity: 243
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: -1.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H](Cc1ccc(cc1)[N+](=O)[O-])N
NscNumber:
__
Complexity:
243
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
-1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1c[nH]c2c1c(ccc2)[N+](=O)[O-]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1c[nH]c2c1c(ccc2)[N+](=O)[O-]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__