1-(2-Chloro-4-Nitro-1H-Imidazol-1-Yl)-3-Methoxy-2-Propanol

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Properties Simple | Detailed

Formula C7H10ClN3O4
IUPAC Name (2s)-1-(2-chloro-5-nitro-4h-imidazol-3-ium-4-ylium-3-yl)-3-methoxy-propan-2-ol
Molecular Mass 235.625 g·mol−1
Heat of Formation -231.9 ± 16.7 kJ·mol−1
Dipole Moment 10.78 ± 1.08 D
Volume 253.16 Å 3
Surface Area 241.11 Å 2
HOMO Energy -10.13 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
InChIKey VXFYUTQHAIJKMR-YFKPBYRVSA-N
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Elements H C N O Cl