AC1LXTUU structure

AC1LXTUU

[(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 4-fluorobenzenesulfonate

Also Known As: (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzenesulfonate|F3385-2468|[(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 4-fluorobenzenesulfonate|(2Z)-3-oxo-2-[(pyridin-3-yl)methylidene]-2,3-dihydro-1-benzofuran-6-yl 4-fluorobenzene-1-sulfonate|3-oxo-2-(3-pyridylmethylene)benzo[3,4-b]furan-6-yl 4-fluorobenzenesulfonate|(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 4-fluorobenzenesulfonate|4-Fluoro-benzenesulfonic acid 3-oxo-2-[1-pyridin-3-yl-meth-(Z)-ylidene]-2,3-dihydro-benzofuran-6-yl ester

CAS: 1164528-01-1
Molecular Formula C20H12FNO5S
Molecular Weight 397.04202 g/mol
LogP 3.6046
Topological Polar Surface Area 82.56 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 4
Exact Mass 397.04202
Monoisotopic Mass 397.04202
Heavy Atoms 28
Complexity 1189.0255

Chemical Identifiers

CAS Number 1164528-01-1
SMILES C1=CC(=CN=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)F

Product Overview

AC1LXTUU (CAS 1164528-01-1), with molecular formula C20H12FNO5S and molecular weight 397.04202 g/mol. IUPAC: [(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 4-fluorobenzenesulfonate.

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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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