2-(1,3-Dihydro-1,3-Dioxo-2H-Benz(F)Isoindol-2-Yl)Ethyl Trifluoromethanesulfonate

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Properties Simple | Detailed

Formula C15H10F3NO5S
IUPAC Name 2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl trifluoromethanesulfonate
Molecular Mass 373.304 g·mol−1
Heat of Formation -1239.6 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 358.03 Å 3
Surface Area 306.06 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2,3-naphthalimino)ethyl trifluoromethanesulfonate
  • 2-nie-tfms
  • methanesulfonic acid, trifluoro-, 2-(1,3-dihydro-1,3-dioxo-2h-benz(f)isoindol-2-yl)ethyl ester
  • trifluoromethanesulfonic acid 2-(1,3-diketobenzo[f]isoindol-2-yl)ethyl ester
  • trifluoromethanesulfonic acid 2-(1,3-dioxo-2-benzo[f]isoindolyl)ethyl ester
CAS Number(s)
  • 128651-50-3
InChIKey VKCKBLUPFMXLRO-UHFFFAOYSA-N
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