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

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Properties Simple | Detailed

Formula C16H15N3
IUPAC Name 5-(2,4-dimethylphenyl)-3-phenyl-1h-1,2,4-triazole
Molecular Mass 249.310 g·mol−1
Heat of Formation 338.0 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 307.78 Å 3
Surface Area 288.49 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-1,2,4-triazole, 3-(2,4-dimethylphenyl)-5-phenyl-
  • 3-(2,4-dimethylphenyl)-5-phenyl-2h-1,2,4-triazole
  • 5-phenyl-3-(2,4-xylyl)-s-triazole
  • s-triazole, 5-phenyl-3-(2,4-xylyl)-
CAS Number(s)
  • 85303-90-8
InChIKey LXVXIEDVPDPIGJ-UHFFFAOYSA-N
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Elements H C N