5-(2-Ethoxyethyl)-5-[4-(4-Fluorophenoxy)Phenoxy]-2,4,6(1H,3H,5H)-Pyrimidinetrione

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Properties Simple | Detailed

Formula C20H19FN2O6
IUPAC Name 5-(2-ethoxyethyl)-5-[4-(4-fluorophenoxy)phenoxy]hexahydropyrimidine-2,4,6-trione
Molecular Mass 402.373 g·mol−1
Heat of Formation -996.6 ± 16.7 kJ·mol−1
Dipole Moment 1.49 ± 1.08 D
Volume 445.48 Å 3
Surface Area 391.37 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 2.07 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(2-ethoxyethyl)-5-[4-(4-fluorophenoxy)phenoxy]-1,3-diazinane-2,4,6-trione
  • 5-(2-ethoxyethyl)-5-[4-(4-fluorophenoxy)phenoxy]barbituric acid
  • 5-(2-ethoxyethyl)-5-[4-(4-fluorophenoxy)phenoxy]pyrimidine-2,4,6(1h,3h,5h)-trione
  • pfd
InChIKey XRSYNYGEEYTXJV-UHFFFAOYSA-N
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