(2R)-1-Methoxy-3-(2-Nitro-1H-Imidazol-1-Yl)-2-Propanol

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Properties Simple | Detailed

Formula C7H12N3O4
IUPAC Name (2r)-1-methoxy-3-(2-nitro-4h-imidazol-1-ium-4-id-3-yl)propan-2-ol
Molecular Mass 202.188 g·mol−1
Heat of Formation -208.4 ± 16.7 kJ·mol−1
Dipole Moment 7.15 ± 1.08 D
Volume 229.88 Å 3
Surface Area 221.62 Å 2
HOMO Energy -10.09 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-1-methoxy-3-(2-nitro-1-imidazolyl)propan-2-ol
  • (2r)-1-methoxy-3-(2-nitroimidazol-1-yl)propan-2-ol
CAS Number(s)
  • 95120-45-9
InChIKey OBBCSXFCDPPXOL-ZCFIWIBFSA-N
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