AF86538
33224-19-0 | 3-Methoxy-5-nitrobenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AF86538
ChemicalName
3-Methoxy-5-nitrobenzonitrile
CasNumber
33224-19-0
MolecularFormula
C8H6N2O3
MolecularWeight
178.1448
MdlNumber
MFCD00463876
Smiles
COc1cc(C#N)cc(c1)[N+](=O)[O-]
Complexity
240
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
1
Xlogp3
1.4
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CatalogNumber: AF86538
ChemicalName: 3-Methoxy-5-nitrobenzonitrile
CasNumber: 33224-19-0
MolecularFormula: C8H6N2O3
MolecularWeight: 178.1448
MdlNumber: MFCD00463876
Smiles: COc1cc(C#N)cc(c1)[N+](=O)[O-]
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AF86538
ChemicalName:
3-Methoxy-5-nitrobenzonitrile
CasNumber:
33224-19-0
MolecularFormula:
C8H6N2O3
MolecularWeight:
178.1448
MdlNumber:
MFCD00463876
Smiles:
COc1cc(C#N)cc(c1)[N+](=O)[O-]
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(C)c(c(c1)N)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Cc1cc(C)c(c(c1)N)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(cc(c1C)OC)C(=O)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(cc(c1C)OC)C(=O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1c(Br)cncc1[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1c(Br)cncc1[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__