(2S)-1-Chloro-3-(2-Methyl-5-Nitro-1H-Imidazol-1-Yl)-2-Propanol

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Properties Simple | Detailed

Formula C7H11ClN3O3
IUPAC Name (2s)-1-chloro-3-(2-methyl-5-nitro-imidazol-3-ium-5-id-1-yl)propan-2-ol
Molecular Mass 220.634 g·mol−1
Heat of Formation -176.8 ± 16.7 kJ·mol−1
Dipole Moment 3.67 ± 1.08 D
Volume 236.9 Å 3
Surface Area 216.97 Å 2
HOMO Energy -10.32 ± 0.55 eV
LUMO Energy 1.61 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-chloro-3-(2-methyl-5-nitro-1-imidazolyl)propan-2-ol
  • (2s)-1-chloro-3-(2-methyl-5-nitro-imidazol-1-yl)propan-2-ol
  • (2s)-1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
InChIKey IPWKIXLWTCNBKN-ZCFIWIBFSA-N
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Elements H C N O Cl