AI00564
90178-78-2 | 4-Formyl-3-nitrobenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI00564
ChemicalName
4-Formyl-3-nitrobenzonitrile
CasNumber
90178-78-2
MolecularFormula
C8H4N2O3
MolecularWeight
176.129
MdlNumber
MFCD10696869
Smiles
O=Cc1ccc(cc1[N+](=O)[O-])C#N
Complexity
262
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
1
Xlogp3
1
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CatalogNumber: AI00564
ChemicalName: 4-Formyl-3-nitrobenzonitrile
CasNumber: 90178-78-2
MolecularFormula: C8H4N2O3
MolecularWeight: 176.129
MdlNumber: MFCD10696869
Smiles: O=Cc1ccc(cc1[N+](=O)[O-])C#N
Complexity: 262
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 1
CatalogNumber:
AI00564
ChemicalName:
4-Formyl-3-nitrobenzonitrile
CasNumber:
90178-78-2
MolecularFormula:
C8H4N2O3
MolecularWeight:
176.129
MdlNumber:
MFCD10696869
Smiles:
O=Cc1ccc(cc1[N+](=O)[O-])C#N
Complexity:
262
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCc1ccc(cc1)Oc1ccc(cc1)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCc1ccc(cc1)Oc1ccc(cc1)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI00566
ChemicalName: 4-(3-Formylphenoxy)benzonitrile
CasNumber: 90178-72-6
MolecularFormula: C14H9NO2
MolecularWeight: 223.2268
MdlNumber: MFCD11500847
Smiles: O=Cc1cccc(c1)Oc1ccc(cc1)C#N
Complexity: 299
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 3.1
CatalogNumber:
AI00566
ChemicalName:
4-(3-Formylphenoxy)benzonitrile
CasNumber:
90178-72-6
MolecularFormula:
C14H9NO2
MolecularWeight:
223.2268
MdlNumber:
MFCD11500847
Smiles:
O=Cc1cccc(c1)Oc1ccc(cc1)C#N
Complexity:
299
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C#CCS(=O)(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C#CCS(=O)(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__