2-(2,4-Dinitro-1H-Imidazol-1-Yl)Ethanol

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Properties Simple | Detailed

Formula C5H6N4O5
IUPAC Name 2-(2,4-dinitroimidazol-1-ium-2-ylium-1-yl)ethanol
Molecular Mass 202.125 g·mol−1
Heat of Formation -12.2 ± 16.7 kJ·mol−1
Dipole Moment 5.58 ± 1.08 D
Volume 206.8 Å 3
Surface Area 200.88 Å 2
HOMO Energy -11.18 ± 0.55 eV
LUMO Energy -1.82 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-imidazole-1-ethanol, 2,4-dinitro-
  • 2,4-dinitroimidazole-1-ethanol
  • 2-(2,4-dinitro-1-imidazolyl)ethanol
  • 2-(2,4-dinitroimidazol-1-yl)ethanol
  • ka 161
  • ka-161
CAS Number(s)
  • 69542-89-8
InChIKey WNURBLVAAMWYCX-UHFFFAOYSA-N
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