2,6-Dinitrobenzonitrile

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Properties Simple | Detailed

Formula C7H3N3O4
IUPAC Name 2,6-dinitrobenzonitrile
Molecular Mass 193.116 g·mol−1
Heat of Formation 248.6 ± 16.7 kJ·mol−1
Dipole Moment 7.11 ± 1.08 D
Volume 194.53 Å 3
Surface Area 189.83 Å 2
HOMO Energy -11.61 ± 0.55 eV
LUMO Energy 0.52 ± eV
Point Group Symmetry C2v
Synonyms
  • benzonitrile, 2,6-dinitro-
  • dinitrobenzonitrile
CAS Number(s)
  • 35213-00-4
InChIKey ZYDGHQSJZAFMLU-UHFFFAOYSA-N
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