1,3-Bis(2-Methyl-4-Nitro-1H-Imidazol-1-Yl)-2-Propanyl Acetate

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Properties Simple | Detailed

Formula C13H16N6O6
IUPAC Name [2-(2-methyl-4-nitro-imidazol-1-ium-2-ylium-1-yl)-1-[(2-methyl-4-nitro-imidazol-1-ium-2-ylium-1-yl)methyl]ethyl] acetate
Molecular Mass 352.303 g·mol−1
Heat of Formation -178.1 ± 16.7 kJ·mol−1
Dipole Moment 9.72 ± 1.08 D
Volume 400.12 Å 3
Surface Area 337.13 Å 2
HOMO Energy -10.24 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-bis(2-methyl-4-nitro-imidazol-1-yl)propan-2-yl ethanoate
  • 1,3-bis(2-methyl-4-nitroimidazol-1-yl)propan-2-yl acetate
  • 1h-imidazole-1-ethanol, 2-methyl-alpha-((2-methyl-4-nitro-1h-imidazol-1-yl)methyl)-4-nitro-, acetate (ester)
  • 2-acetoxy-1,3-bis(2'-methyl-4'-nitro-1'-imidazolyl)propane
  • [2-(2-methyl-4-nitro-imidazol-1-yl)-1-[(2-methyl-4-nitro-imidazol-1-yl)methyl]ethyl] acetate
  • acetic acid [2-(2-methyl-4-nitro-1-imidazolyl)-1-[(2-methyl-4-nitro-1-imidazolyl)methyl]ethyl] ester
  • acetic acid [2-(2-methyl-4-nitro-imidazol-1-yl)-1-[(2-methyl-4-nitro-imidazol-1-yl)methyl]ethyl] ester
  • rs 029
  • rs-029
CAS Number(s)
  • 110230-95-0
InChIKey XCOGTTVSYZHWCD-UHFFFAOYSA-N
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