AC1LK9JI structure

AC1LK9JI

N-[[5-[(4-cyanophenoxy)methyl]furan-2-yl]methylideneamino]-3-methyl-4-nitrobenzamide

Also Known As: 3-Methyl-4-nitrobenzoic acid 2-[[5-[(4-cyanophenoxy)methyl]-2-furanyl]methylene]hydrazide|N'-({5-[(4-Cyanophenoxy)methyl]furan-2-yl}methylidene)-3-methyl-4-nitrobenzohydrazide|N-[[5-[(4-cyanophenoxy)methyl]furan-2-yl]methylideneamino]-3-methyl-4-nitrobenzamide

CAS: 445005-99-2
Molecular Formula C21H16N4O5
Molecular Weight 404.11206 g/mol
LogP 3.7108
Topological Polar Surface Area 130.76 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
Rotatable Bonds 7
Exact Mass 404.11206
Monoisotopic Mass 404.11206
Heavy Atoms 30
Complexity 1142.9486

Chemical Identifiers

CAS Number 445005-99-2
SMILES CC1=C(C=CC(=C1)C(=O)NN=CC2=CC=C(O2)COC3=CC=C(C=C3)C#N)[N+](=O)[O-]

Product Overview

AC1LK9JI (CAS 445005-99-2), with molecular formula C21H16N4O5 and molecular weight 404.11206 g/mol. IUPAC: N-[[5-[(4-cyanophenoxy)methyl]furan-2-yl]methylideneamino]-3-methyl-4-nitrobenzamide.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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