4-Nitrobenzofuroxan

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Properties Simple | Detailed

Formula C6H3N3O4
IUPAC Name 4-nitro-1-oxido-2,1,3-benzoxadiazol-1-ium
Molecular Mass 181.106 g·mol−1
Heat of Formation 307.8 ± 16.7 kJ·mol−1
Dipole Moment 5.84 ± 1.08 D
Volume 176.43 Å 3
Surface Area 176.89 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy -2.68 ± eV
Point Group Symmetry Cs
Synonyms
  • 4-nitro-1-oxido-benzofurazan-1-ium
  • b2789
  • benzofurazan, 4-nitro-, 1-oxide
  • nitrobenzofuroxan
CAS Number(s)
  • 18771-85-2
InChIKey XUCKCDGEIRMZPM-UHFFFAOYSA-N
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