1-Benzoyl-2-Trifluoromethyl-2-Acetoxyethene

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Properties Simple | Detailed

Formula C12H9F3O3
IUPAC Name [(z)-3-oxo-3-phenyl-1-(trifluoromethyl)prop-1-enyl] acetate
Molecular Mass 258.193 g·mol−1
Heat of Formation -1002.3 ± 16.7 kJ·mol−1
Dipole Moment 1.79 ± 1.08 D
Volume 275.82 Å 3
Surface Area 254.64 Å 2
HOMO Energy -10.12 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry C1
Synonyms
  • 2-buten-1-one, 3-(acetyloxy)-4,4,4-trifluoro-1-phenyl-
  • [(z)-1,1,1-trifluoro-4-oxo-4-phenyl-but-2-en-2-yl] ethanoate
  • [(z)-3-oxo-3-phenyl-1-(trifluoromethyl)prop-1-enyl] acetate
  • acetic acid [(z)-3-keto-3-phenyl-1-(trifluoromethyl)prop-1-enyl] ester
  • acetic acid [(z)-3-oxo-3-phenyl-1-(trifluoromethyl)prop-1-enyl] ester
  • btae-1,2,2
CAS Number(s)
  • 149172-65-6
InChIKey UWQNJJGNFAFFGH-XFFZJAGNSA-N
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