AC1LXLQS structure

AC1LXLQS

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

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

CAS: 477298-75-2
Molecular Formula C21H10Br2FN3O2S
Molecular Weight 544.88446 g/mol
LogP 6.55718
Topological Polar Surface Area 78.92 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 4
Exact Mass 544.88446
Monoisotopic Mass 546.8824
Heavy Atoms 30
Complexity 1405.6366

Chemical Identifiers

CAS Number 477298-75-2
SMILES C1=CC(=C(C=C1Br)F)N/C=C(/C#N)\C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O

Product Overview

AC1LXLQS (CAS 477298-75-2), with molecular formula C21H10Br2FN3O2S and molecular weight 544.88446 g/mol. IUPAC: (Z)-3-(4-bromo-2-fluoroanilino)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]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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