1H-Benzotriazole-4-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C7H5N3O2
IUPAC Name benzotriazole-4-carboxylic acid
Molecular Mass 163.133 g·mol−1
Heat of Formation 11.5 ± 16.7 kJ·mol−1
Dipole Moment 2.14 ± 1.08 D
Volume 173.48 Å 3
Surface Area 174.33 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-benzotriazole-7-carboxylic acid
  • 2h-benzotriazole-4-carboxylic acid
  • benzotriazole-7-cooh
CAS Number(s)
  • 62972-61-6
InChIKey KFJDQPJLANOOOB-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N