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Properties Simple | Detailed

Formula C7H3IN2O3
IUPAC Name 4-hydroxy-3-iodo-5-nitro-benzonitrile
Molecular Mass 290.015 g·mol−1
Heat of Formation 136.0 ± 16.7 kJ·mol−1
Dipole Moment 4.77 ± 1.08 D
Volume 214.47 Å 3
Surface Area 208.69 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy -1.91 ± eV
Point Group Symmetry Cs
Synonyms
  • 4-hydroxy-3-iodo-5-nitrobenzonitrile
  • benzonitrile, 4-hydroxy-3-iodo-5-nitro-
  • nitroxinil
  • nitroxynil
CAS Number(s)
  • 1689-89-0
InChIKey SGKGVABHDAQAJO-UHFFFAOYSA-N
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