3-(4-Biphenylyl)-4-(2-Fluorophenyl)-5-Isopropyl-4H-1,2,4-Triazole

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Properties Simple | Detailed

Formula C23H20FN3
IUPAC Name 4-(2-fluorophenyl)-3-(4-phenylphenyl)-5-propan-2-yl-1,2,4-triazole
Molecular Mass 357.423 g·mol−1
Heat of Formation 257.3 ± 16.7 kJ·mol−1
Dipole Moment 7.53 ± 1.08 D
Volume 437.95 Å 3
Surface Area 368.52 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 2.12 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(2-fluorophenyl)-3-isopropyl-5-(4-phenylphenyl)-1,2,4-triazole
InChIKey XOGABADGFOGOCV-UHFFFAOYSA-N
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Elements H C N F