4-Chloro-7-Nitrobenzofurazan

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Properties Simple | Detailed

Formula C6H2ClN3O3
IUPAC Name 4-chloro-7-nitro-2,1,3-benzoxadiazole
Molecular Mass 199.551 g·mol−1
Heat of Formation 303.8 ± 16.7 kJ·mol−1
Dipole Moment 4.27 ± 1.08 D
Volume 188.0 Å 3
Surface Area 184.4 Å 2
HOMO Energy -10.55 ± 0.55 eV
LUMO Energy -2.99 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-chloro-4-nitrobenzoxadiazole
  • 2,1,3-benzoxadiazole, 4-chloro-7-nitro-
  • 4-chloro-7-nitro-1,2,3-benzoxadiazole
  • 4-chloro-7-nitro-benzofurazan
  • 4-chloro-7-nitrobenzo-2-oxa-1,3-diazole
  • 4-nitro-7-chlorobenzofurazan
  • 7-chloro-4-nitrobenz-2-oxa-1,3-diazole
  • 7-chloro-4-nitrobenzo-2-oxa-1,3-diazole
  • 7-chloro-4-nitrobenzofurazan
  • benzofurazan, 4-chloro-7-nitro-
  • nbd chloride
  • nbd-c 1
  • nbd-chloride
  • shokat-update-comp17
CAS Number(s)
  • 10199-89-0
InChIKey IGHBXJSNZCFXNK-UHFFFAOYSA-N
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Elements H C N O Cl