5-(2-Butylphenyl)-3-Phenyl-1H-1,2,4-Triazole

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Properties Simple | Detailed

Formula C18H19N3
IUPAC Name 3-(2-butylphenyl)-5-phenyl-4-aza-2-azonia-1-azanidacyclopenta-2,4-diene
Molecular Mass 277.364 g·mol−1
Heat of Formation 313.5 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 359.63 Å 3
Surface Area 314.92 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-1,2,4-triazole, 3-(2-butylphenyl)-5-phenyl-
  • 3-(2-butylphenyl)-5-phenyl-1h-1,2,4-triazole
  • 3-(2-butylphenyl)-5-phenyl-2h-1,2,4-triazole
  • 3-(o-butylphenyl)-5-phenyl-s-triazole
  • s-triazole, 3-(o-butylphenyl)-5-phenyl-
CAS Number(s)
  • 85303-88-4
InChIKey NEEHHGCSOUSERQ-UHFFFAOYSA-N
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Elements H C N