1-Chlorobenzotriazole

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Properties Simple | Detailed

Formula C6H4ClN3
IUPAC Name 1-chlorobenzotriazol-1-ium-2-ide
Molecular Mass 153.569 g·mol−1
Heat of Formation 458.4 ± 16.7 kJ·mol−1
Dipole Moment 4.63 ± 1.08 D
Volume 162.09 Å 3
Surface Area 163.84 Å 2
HOMO Energy -9.97 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
Synonyms
  • 1-chloro-1h-benzotriazole
  • 1-chloro-benzotriazole
  • 1h-benzotriazole, 1-chloro-
  • 1h-benzotriazole, 1-chloro- (8ci)(9ci)
CAS Number(s)
  • 21050-95-3
InChIKey INOGLHRUEYDAHX-UHFFFAOYSA-N
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Elements H C N Cl