1,2,3-Benzotriazin-4-Ol

Molecule SVG Image

Properties Simple | Detailed

Formula C7H6N3O+
IUPAC Name 1h-1,2,3-benzotriazin-4-one
Molecular Mass 148.142 g·mol−1
Heat of Formation 162.4 ± 16.7 kJ·mol−1
Dipole Moment 6.53 ± 1.08 D
Volume 159.65 Å 3
Surface Area 162.68 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy 1.83 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,2,3-benzotriazin-4(1h)-one
  • 1,2,3-benzotriazin-4(3h)-one
  • 1,2,3-benzotriazin-4(3h)-one (8ci)
  • 1,2,3-benzotriazin-4-(1h)-one
  • 1,2,3-benzotriazin-4-one
  • 3h-1,2,3-benzotriazin-4-one
  • 4-keto-(3h)-1,2,3-benzotriazine
  • 4-ketobenz-1,2,3-triazine
  • 4-ketobenzotriazine
  • 8m-907
  • ab-323/25048510
  • aronis022202
  • benzazimide
  • benzazimidone
  • benzoketotriazine
  • usaf ma-2
CAS Number(s)
  • 4184-81-0
  • 90-16-4
InChIKey DMSSTTLDFWKBSX-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N