5-(2-Ethylphenyl)-3-(3-Methoxyphenyl)-1H-1,2,4-Triazole

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Properties Simple | Detailed

Formula C17H17N3O
IUPAC Name 5-(2-ethylphenyl)-3-(3-methoxyphenyl)-1h-1,2,4-triazole
Molecular Mass 279.336 g·mol−1
Heat of Formation 197.9 ± 16.7 kJ·mol−1
Dipole Moment 1.63 ± 1.08 D
Volume 344.98 Å 3
Surface Area 312.52 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
Synonyms
  • (3-ethylphenyl)-5-(3-methoxyphenyl)-1,2,4-triazole
  • 1h-1,2,4-triazole, 3-(2-ethylphenyl)-5-(3-methoxyphenyl)-
  • 3-(2-ethylphenyl)-5-(3-methoxyphenyl)-1h-1,2,4-triazole
  • 3-(2-ethylphenyl)-5-(3-methoxyphenyl)-2h-1,2,4-triazole
  • 3-(o-ethylphenyl)-5-(m-methoxyphenyl)-s-triazole
  • 5-(2-ethylphenyl)-3-(3-methoxyphenyl)-s-triazole
  • contragestazol
  • dl 111
  • dl 111it
  • dl-111-it
  • s-triazole, 3-(o-ethylphenyl)-5-(m-methoxyphenyl)-
CAS Number(s)
  • 69095-83-6
InChIKey GXCZZAKPGMYPDJ-UHFFFAOYSA-N
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