AC1LXTQ5 structure

AC1LXTQ5

(Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(3-chloro-4-fluoroanilino)prop-2-enenitrile

Also Known As: (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(3-chloro-4-fluorophenyl)amino]prop-2-enenitrile|(Z)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-chloro-4-fluorophenyl)amino)acrylonitrile|(Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(3-chloro-4-fluoroanilino)prop-2-enenitrile

CAS: 683258-54-0
Molecular Formula C21H10BrClFN3O2S
Molecular Weight 500.93497 g/mol
LogP 6.44808
Topological Polar Surface Area 78.92 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 4
Exact Mass 500.93497
Monoisotopic Mass 500.93497
Heavy Atoms 30
Complexity 1407.6366

Chemical Identifiers

CAS Number 683258-54-0
SMILES C1=CC(=C(C=C1N/C=C(/C#N)\C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O)Cl)F

Product Overview

AC1LXTQ5 (CAS 683258-54-0), with molecular formula C21H10BrClFN3O2S and molecular weight 500.93497 g/mol. IUPAC: (Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(3-chloro-4-fluoroanilino)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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