2,3,4,5,6-Pentafluoro-N-(2-Oxo-2,3-Dihydro-4-Pyrimidinyl)Benzamide

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Properties Simple | Detailed

Formula C11H4F5N3O2
IUPAC Name 2,3,4,5,6-pentafluoro-n-(2-oxo-1h-pyrimidin-3-ium-6-yl)benzamide
Molecular Mass 305.160 g·mol−1
Heat of Formation -1011.9 ± 16.7 kJ·mol−1
Dipole Moment 8.05 ± 1.08 D
Volume 283.39 Å 3
Surface Area 267.07 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -2.35 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3,4,5,6-pentafluoro-n-(2-keto-3h-pyrimidin-4-yl)benzamide
  • 2,3,4,5,6-pentafluoro-n-(2-oxo-3h-pyrimidin-4-yl)benzamide
  • benzamide, n-(1,2-dihydro-2-oxo-4-pyrimidinyl)-2,3,4,5,6-pentafluoro-
  • pentafluorobenzoylcytosine
CAS Number(s)
  • 94720-19-1
InChIKey KIRYPCUCNDVCHT-UHFFFAOYSA-N
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