Cndp

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Properties Simple | Detailed

Formula C28H19FN4O8++
IUPAC Name (6-benzoyloxy-3-cyano-2-pyridyl) 3-[3-(ethoxymethyl)-5-fluoro-2,6-dioxo-pyrimidine-1-carbonyl]benzoate
Molecular Mass 558.471 g·mol−1
Heat of Formation -958.9 ± 16.7 kJ·mol−1
Dipole Moment 6.86 ± 1.08 D
Volume 610.73 Å 3
Surface Area 477.1 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy 1.80 ± eV
Point Group Symmetry C1
Synonyms
  • (3-cyano-6-phenylcarbonyloxy-pyridin-2-yl) 3-[3-(ethoxymethyl)-5-fluoro-2,6-dioxo-pyrimidin-1-yl]carbonylbenzoate
  • 3-(3-(6-benzoyloxy-3-cyano-2-pyridyloxycarbonyl)benzoyl)-1-ethoxymethyl-5- fluorouracil
  • 3-(3-(6-benzoyloxy-3-cyano-2-pyridyloxycarbonyl)benzoyl)-1-ethoxymethyl-5-fluorouracil
  • 3-[3-(ethoxymethyl)-5-fluoro-2,6-diketo-pyrimidine-1-carbonyl]benzoic acid [6-(benzoyloxy)-3-cyano-2-pyridyl] ester
  • 3-[[3-(ethoxymethyl)-5-fluoro-2,6-dioxo-1-pyrimidinyl]-oxomethyl]benzoic acid [3-cyano-6-(oxo-phenylmethoxy)-2-pyridyl] ester
  • [6-(benzoyloxy)-3-cyano-2-pyridyl] 3-[3-(ethoxymethyl)-5-fluoro-2,6-dioxo-pyrimidine-1-carbonyl]benzoate
  • benzoic acid, 3-((3-(ethoxymethyl)-5-fluoro-3,6-dihydro-2,6-dioxo-1(2h)-pyrimidinyl)carbonyl)-, 6-(benzoyloxy)-3-cyano-2-pyridinyl ester
  • benzoic acid, 3-((3-(etoxymethyl)-5-fluoro-3,6-dihydro-2,6-dioxo-1(2h)-pyrimidinyl)carbonyl)-, 6-(benzoyloxy)-3-cyano-2-pyridinyl ester
  • bof a2
  • bof-a2
  • d03987
  • emitefur
  • emitefur (usan)
  • last-f
  • m-((3-(ethoxymethyl)-5-fluoro-3,6-dihydro-2,6-dioxo-1(2h)-pyrimidinyl)carbonyl)benzoic acid, 2-ester with 2,6-dihydroxynicotinonitrile, benzoate
CAS Number(s)
  • 110690-43-2
InChIKey WTSKMKRYHATLLL-UHFFFAOYSA-N
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