AC1O1WJW structure

AC1O1WJW

(E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-fluoro-2-nitroanilino)prop-2-enenitrile

Also Known As: (2E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-fluoro-2-nitrophenyl)amino]prop-2-enenitrile|(E)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)-3-((4-fluoro-2-nitrophenyl)amino)acrylonitrile|(E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-fluoro-2-nitroanilino)prop-2-enenitrile

CAS: 477298-35-4
Molecular Formula C20H15FN4O4S
Molecular Weight 426.0798 g/mol
LogP 4.85118
Topological Polar Surface Area 110.31 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 8
Rotatable Bonds 7
Exact Mass 426.0798
Monoisotopic Mass 426.0798
Heavy Atoms 30
Complexity 1169.8534

Chemical Identifiers

CAS Number 477298-35-4
SMILES COC1=C(C=C(C=C1)C2=CSC(=N2)/C(=C/NC3=C(C=C(C=C3)F)[N+](=O)[O-])/C#N)OC

Product Overview

AC1O1WJW (CAS 477298-35-4), with molecular formula C20H15FN4O4S and molecular weight 426.0798 g/mol. IUPAC: (E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-fluoro-2-nitroanilino)prop-2-enenitrile.

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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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