3-{[(6-Chlorohexyl)Oxy]Methyl}-5-Fluoro-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C11H16ClFN2O3++
IUPAC Name 3-(6-chlorohexoxymethyl)-5-fluoro-pyrimidine-2,4-dione
Molecular Mass 278.708 g·mol−1
Heat of Formation -770.2 ± 16.7 kJ·mol−1
Dipole Moment 4.10 ± 1.08 D
Volume 319.49 Å 3
Surface Area 304.62 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • 1-((6-chlorohexyloxy)methyl)-5-fluorouracil
  • 2,4(1h,3h)-pyrimidinedione, 3-(((6-chlorohexyl)oxy)methyl)-5-fluoro-
  • 3-(6-chlorohexoxymethyl)-5-fluoro-1h-pyrimidine-2,4-dione
  • 3-(6-chlorohexoxymethyl)-5-fluoro-uracil
  • chom-5-fu
CAS Number(s)
  • 139593-09-2
InChIKey OBWFLQWRFJTNRN-UHFFFAOYSA-N
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