2-(3-Methoxyphenyl)-5H-[1,2,4]Triazolo[5,1-A]Isoindole

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Properties Simple | Detailed

Formula C16H13N3O
IUPAC Name 2-(3-methoxyphenyl)-5h-[1,2,4]triazolo[5,1-a]isoindole
Molecular Mass 263.294 g·mol−1
Heat of Formation 352.7 ± 16.7 kJ·mol−1
Dipole Moment 2.97 ± 1.08 D
Volume 305.89 Å 3
Surface Area 288.93 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-(3-methoxyphenyl)-5h-s-triazolo(5,1-a)isoindole
  • 5h-(1,2,4)triazolo(5,1-a)isoindole, 2-(3-methoxyphenyl)-
  • l 10492
  • l-10492
CAS Number(s)
  • 57170-08-8
InChIKey FTIJBNDQDAPKSY-UHFFFAOYSA-N
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