6-Nitro-Benzotriazol-1-Ol

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Properties Simple | Detailed

Formula C6H4N4O3
IUPAC Name 1-hydroxy-6-nitro-benzotriazole
Molecular Mass 180.121 g·mol−1
Heat of Formation 316.6 ± 16.7 kJ·mol−1
Dipole Moment 1.80 ± 1.08 D
Volume 181.75 Å 3
Surface Area 182.79 Å 2
HOMO Energy -10.33 ± 0.55 eV
LUMO Energy -2.26 ± eV
Point Group Symmetry C1
Synonyms
  • 1-hydroxy-6-nitro-benzotriazole
  • 1-hydroxy-6-nitrobenzotriazole
  • 1h-benzotriazole, 1-hydroxy-6-nitro-
  • ohnbt
CAS Number(s)
  • 26185-63-7
InChIKey HZPVTKPGROKWRL-UHFFFAOYSA-N
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