4-(1,2,4-Triazol-1-Yl)Phenol

Molecule SVG Image

Properties Simple | Detailed

Formula C8H7N3O
IUPAC Name 4-(1,2,4-triazol-1-yl)phenol
Molecular Mass 161.161 g·mol−1
Heat of Formation 157.7 ± 16.7 kJ·mol−1
Dipole Moment 4.28 ± 1.08 D
Volume 186.7 Å 3
Surface Area 186.31 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 2.20 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(1h-1,2,4-triazol-1-yl)phenol
  • p-(1h-1,2,4-triazol-1-yl) phenol
  • phenol, 4-(1h-1,2,4-triazol-1-yl)-
  • sdccgmls-0065820.p001
  • sr-01000639267-1
CAS Number(s)
  • 68337-15-5
InChIKey ZOPIBCDDKMAEII-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N