3-(Trifluoromethyl)[1,2,4]Triazolo[3,4-A]Isoquinoline

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Properties Simple | Detailed

Formula C11H7F3N3+
IUPAC Name 3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]isoquinoline
Molecular Mass 238.189 g·mol−1
Heat of Formation -254.5 ± 16.7 kJ·mol−1
Dipole Moment 7.20 ± 1.08 D
Volume 237.96 Å 3
Surface Area 227.18 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,2,4-triazolo(3,4-a)isoquinoline, 3-(trifluoromethyl)- (9ci)
  • 3-(trifluoromethyl)-1,2,4-triazolo(3,4-a)isoquinoline
  • 3-(trifluoromethyl)-s-triazolo(3,4-a)isoquinoline
  • 3-trifluoromethyl-s-triazolo(3,4-a)-isoquinoline
  • abbott 40060
  • nc 1140
  • s-triazolo(3,4-a)isoquinoline, 3-(trifluoromethyl)-
CAS Number(s)
  • 27022-50-0
InChIKey VCCLTMGHQTUHGC-UHFFFAOYSA-N
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Elements H C N F