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

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Properties Simple | Detailed

Formula C9H12ClFN2O4++
IUPAC Name 3-[2-(2-chloroethoxy)ethoxymethyl]-5-fluoro-pyrimidine-2,4-dione
Molecular Mass 266.654 g·mol−1
Heat of Formation -881.6 ± 16.7 kJ·mol−1
Dipole Moment 4.56 ± 1.08 D
Volume 283.63 Å 3
Surface Area 253.74 Å 2
HOMO Energy -9.97 ± 0.55 eV
LUMO Energy 2.15 ± eV
Point Group Symmetry C1
Synonyms
  • 1-((2-(2-chloroethoxy)ethoxy)methyl)-5-fluorouracil
  • 2,4(1h,3h)-pyrimidinedione, 3-((2-(2-chloroethoxy)ethoxy)methyl)-5-fluoro-
  • 3-[2-(2-chloroethoxy)ethoxymethyl]-5-fluoro-1h-pyrimidine-2,4-dione
  • 3-[2-(2-chloroethoxy)ethoxymethyl]-5-fluoro-uracil
  • ceem-5-fu
CAS Number(s)
  • 139593-10-5
InChIKey HBDDBWKDIFHOBO-UHFFFAOYSA-N
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