1,1-Bis(4-Fluorophenyl)-2-(1H-1,2,4-Triazol-1-Yl)Ethanol

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Properties Simple | Detailed

Formula C16H13F2N3O
IUPAC Name 2-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-1,1-bis(4-fluorophenyl)ethanol
Molecular Mass 301.291 g·mol−1
Heat of Formation -167.7 ± 16.7 kJ·mol−1
Dipole Moment 4.91 ± 1.08 D
Volume 339.14 Å 3
Surface Area 289.13 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
Synonyms
  • 1,1-bis(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
  • 1,1-di(4-fluorophenyl)-2-(1,2,4-triazole-1-yl)-ethanol
  • 1h-1,2,4-triazole-1-ethanol, alpha,alpha-bis(4-fluorophenyl)-
  • 1h-1,2,4-triazole-1-ethanol,alpha,alpha-bis(4-fluorophenyl)
  • alpha,alpha-bis(4-fluorophenyl)-1h-1,2,4-triazole-1-ethanol
  • alpha,alpha-bis(4-fluorophenyl)-as-triazoleethanol
  • ici 151291
  • r 151885
  • r151885
CAS Number(s)
  • 76674-14-1
InChIKey OGZYWIZILQBEJI-UHFFFAOYSA-N
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