Hydroxymetronidazole

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Properties Simple | Detailed

Formula C6H9N3O4
IUPAC Name 2-[2-(hydroxymethyl)-5-nitro-imidazol-1-ium-2-ylium-1-yl]ethanol
Molecular Mass 187.153 g·mol−1
Heat of Formation -262.7 ± 16.7 kJ·mol−1
Dipole Moment 4.33 ± 1.08 D
Volume 202.11 Å 3
Surface Area 191.99 Å 2
HOMO Energy -10.48 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole
  • 2-(2-methylol-5-nitro-imidazol-1-yl)ethanol
  • 2-(hydroxymethyl)-5-nitro-1h-imidazole-1-ethanol
  • 2-[2-(hydroxymethyl)-5-nitro-1-imidazolyl]ethanol
  • 2-[2-(hydroxymethyl)-5-nitro-imidazol-1-yl]ethanol
  • 2-[2-(hydroxymethyl)-5-nitroimidazol-1-yl]ethanol
  • imidazole-1-ethanol, 2-hydroxymethyl-5-nitro-
  • mnzoh
CAS Number(s)
  • 4812-40-2
InChIKey AEHPOYAOLCAMIU-UHFFFAOYSA-N
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