1-(2-Nitro-1H-Imidazol-1-Yl)-3-(2,2,2-Trifluoroethoxy)-2-Propanol

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Properties Simple | Detailed

Formula C8H10F3N3O4
IUPAC Name (2s)-1-(2-nitroimidazol-1-ium-2-ylium-1-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
Molecular Mass 269.178 g·mol−1
Heat of Formation -874.8 ± 16.7 kJ·mol−1
Dipole Moment 6.26 ± 1.08 D
Volume 278.48 Å 3
Surface Area 255.95 Å 2
HOMO Energy -10.22 ± 0.55 eV
LUMO Energy 1.88 ± eV
Point Group Symmetry C1
InChIKey MJAYBDARRXBLER-LURJTMIESA-N
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