3-(5-Fluoro-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-2-Methylphenyl Hydrogen Carbonate

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Properties Simple | Detailed

Formula C12H9FN2O5++
IUPAC Name [3-(5-fluoro-2,4-dioxo-pyrimidin-1-ium-5-id-1-yl)-2-methyl-phenyl] hydrogen carbonate
Molecular Mass 280.209 g·mol−1
Heat of Formation -875.5 ± 16.7 kJ·mol−1
Dipole Moment 4.37 ± 1.08 D
Volume 296.25 Å 3
Surface Area 267.04 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy 2.05 ± eV
Point Group Symmetry C1
InChIKey AHTYDUCWNMCQQP-UHFFFAOYSA-P
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