2-(4-Bromophenyl)-2-Oxoethyl Trifluoromethanesulfonate

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Properties Simple | Detailed

Formula C9H6BrF3O4S
IUPAC Name [2-(4-bromophenyl)-2-oxo-ethyl] trifluoromethanesulfonate
Molecular Mass 347.106 g·mol−1
Heat of Formation -1130.4 ± 16.7 kJ·mol−1
Dipole Moment 4.26 ± 1.08 D
Volume 285.05 Å 3
Surface Area 261.02 Å 2
HOMO Energy -10.14 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
Synonyms
  • 4'-bromo-2-hydroxyacetophenone trifluoromethanesulfonate ester
  • 4'-bromophenacyl triflate
  • 4'-bromophenacyl trifluoromethanesulfonate
  • 4-bromophenacyl triflate
  • 4-bromophenacyl trifluoromethanesulfonate
  • bptse
  • methanesulfonic acid, trifluoro-, 2-(4-bromophenyl)-2-oxoethyl ester
  • trifluoromethanesulfonic acid [2-(4-bromophenyl)-2-keto-ethyl] ester
  • trifluoromethanesulfonic acid [2-(4-bromophenyl)-2-oxoethyl] ester
CAS Number(s)
  • 93128-04-2
InChIKey YMYKWFCLILHEJB-UHFFFAOYSA-N
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Elements C F H O S Br