4-Nitro-2,1,3-Benzoxadiazole

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Properties Simple | Detailed

Formula C6H3N3O3
IUPAC Name 4-nitro-2,1,3-benzoxadiazole
Molecular Mass 165.106 g·mol−1
Heat of Formation 329.7 ± 16.7 kJ·mol−1
Dipole Moment 5.40 ± 1.08 D
Volume 164.07 Å 3
Surface Area 166.76 Å 2
HOMO Energy -10.68 ± 0.55 eV
LUMO Energy -2.77 ± eV
Point Group Symmetry Cs
Synonyms
  • 2,1,3-benzoxadiazole, 4-nitro- (9ci)
  • 4-nitro-benzofurazan
  • 4-nitrobenzofurazan
  • 7-nitro-2,1,3-benzoxadiazole
  • benzofurazan, 4-nitro-
CAS Number(s)
  • 16322-19-3
InChIKey ZCVAGTPWBAZXAL-UHFFFAOYSA-N
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