Benzenamine, 4-ethoxy-N-((5-nitro-2-furanyl)methylene)-

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Basic information

CAS: 13410-72-5
Standard SMILES: CCOc1ccc(N=Cc2ccc([N+](=O)[O-])o2)cc1
InChIKey: JFMSMXJCEBXCJW-UHFFFAOYSA-N
Molecular formula: C13H12N2O4
Average molar mass: 260.24 g/mol
Monoisotopic mass: 260.07970687

Names & identifiers

Preferred name: Benzenamine, 4-ethoxy-N-((5-nitro-2-furanyl)methylene)-
IUPAC: N-(4-ethoxyphenyl)-1-(5-nitrofuran-2-yl)methanimine
English name: Nitrofen
Molecular formula: C13H12N2O4
Molecular weight: 260.25

Names & synonyms

Benzenamine, 4-ethoxy-N-((5-nitro-2-furanyl)methylene)-N-(4-ethoxyphenyl)-1-(5-nitrofuran-2-yl)methanimineOprea1_747617AKOS027461721Benzenamine, 4-ethoxy-N-[(5-nitro-2-furanyl)methylene]-

Database identifiers

CAS: 13410-72-5
PubChem CID: 61597

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 80.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 321

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