2-(2-Methyl-4-Nitro-Imidazol-1-Yl)-Ethanol

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Properties Simple | Detailed

Formula C6H9N3O3
IUPAC Name 2-(2-methyl-4-nitro-imidazol-1-ium-2-ylium-1-yl)ethanol
Molecular Mass 171.154 g·mol−1
Heat of Formation -85.4 ± 16.7 kJ·mol−1
Dipole Moment 8.52 ± 1.08 D
Volume 198.72 Å 3
Surface Area 195.9 Å 2
HOMO Energy -10.13 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2-methyl-4-nitro-1-imidazolyl)ethanol
  • 2-(2-methyl-4-nitro-imidazol-1-yl)ethanol
  • 2-(2-methyl-4-nitroimidazol-1-yl)ethanol
  • 2-methyl-4-nitroimidazole-1-ethanol
  • bas 00291771
  • imidazole-1-ethanol, 2-methyl-4-nitro-
  • isometronidazole
  • izoklion
  • r.p. 8979
CAS Number(s)
  • 705-19-1
InChIKey RSXWJXPKLRYMHW-UHFFFAOYSA-N
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