3-[(2-Chloroethoxy)Methyl]-5-Fluoro-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C7H8ClFN2O3++
IUPAC Name 3-(2-chloroethoxymethyl)-5-fluoro-pyrimidine-2,4-dione
Molecular Mass 222.601 g·mol−1
Heat of Formation -676.7 ± 16.7 kJ·mol−1
Dipole Moment 4.40 ± 1.08 D
Volume 230.78 Å 3
Surface Area 221.37 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • 1-((2-chloroethoxy)methyl)-5-fluorouracil
  • 2,4(1h,3h)-pyrimidinedione, 3-((2-chloroethoxy)methyl)-5-fluoro-
  • 3-(2-chloroethoxymethyl)-5-fluoro-1h-pyrimidine-2,4-dione
  • 3-(2-chloroethoxymethyl)-5-fluoro-uracil
  • cem-5-fu
CAS Number(s)
  • 139593-08-1
InChIKey UYXKFHCNKQKPOF-UHFFFAOYSA-N
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