6,7-Dimethyl-2H-Naphtho[2,3-D][1,2,3]Triazole-4,9-Dione

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Properties Simple | Detailed

Formula C12H9N3O2
IUPAC Name 6,7-dimethyl-2h-benzo[f]benzotriazole-4,9-dione
Molecular Mass 227.219 g·mol−1
Heat of Formation 77.6 ± 16.7 kJ·mol−1
Dipole Moment 2.67 ± 1.08 D
Volume 250.56 Å 3
Surface Area 235.43 Å 2
HOMO Energy -9.97 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C2v
Synonyms
  • 1h-naphtho(2,3-d)triazole-4,9-dione, 6,7-dimethyl-
  • 4,9-dihydro-6,7-dimethyl-4,9-dioxo-1h-naphtho(2,3-d)triazole
  • 6,7-dimethyl-1h-naphtho(2,3-d)triazole-4,9-dione
  • 6,7-dimethyl-2h-benzo[f]benzotriazole-4,9-dione
  • 6,7-dimethyl-2h-benzo[f]benzotriazole-4,9-quinone
  • brl 22321
  • brl-22321a
CAS Number(s)
  • 72364-91-1
InChIKey ACMSQMLLTIBBEG-UHFFFAOYSA-N
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