4-[(2-Nitro-1H-Imidazol-1-Yl)Methoxy]-1-Butanol

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Properties Simple | Detailed

Formula C8H13N3O4
IUPAC Name 4-[(2-nitroimidazol-1-ium-2-ylium-1-yl)methoxy]butan-1-ol
Molecular Mass 215.207 g·mol−1
Heat of Formation -235.6 ± 16.7 kJ·mol−1
Dipole Moment 3.99 ± 1.08 D
Volume 252.38 Å 3
Surface Area 246.48 Å 2
HOMO Energy -10.28 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
Synonyms
  • 1-butanol, 4-((2-nitro-1h-imidazol-1-yl)methoxy)-
  • 4-[(2-nitro-1-imidazolyl)methoxy]butan-1-ol
  • 4-[(2-nitroimidazol-1-yl)methoxy]butan-1-ol
  • rk 27
  • rk-27
CAS Number(s)
  • 93679-08-4
InChIKey VRPKPUFMJSAFQK-UHFFFAOYSA-N
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