5-Fluoro-4-Pyrimidinol

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Properties Simple | Detailed

Formula C4H3FN2O
IUPAC Name 5-fluoro-1h-pyrimidin-6-one
Molecular Mass 114.078 g·mol−1
Heat of Formation -227.0 ± 16.7 kJ·mol−1
Dipole Moment 3.38 ± 1.08 D
Volume 117.81 Å 3
Surface Area 128.49 Å 2
HOMO Energy -10.06 ± 0.55 eV
LUMO Energy 1.82 ± eV
Point Group Symmetry Cs
Synonyms
  • 4(1h)-pyrimidinone, 5-fluoro-
  • 4(3h)-pyrimidinone, 5-fluoro-
  • 5-fluoro-3h-pyrimidin-4-one
  • 5-fluoro-4(1h)-pyrimidinone
  • 5-fluoropyrimidin-4(3h)-one
  • fluoxidine
  • fluoxydine
CAS Number(s)
  • 671-35-2
InChIKey NBAHQCCWEKHGTD-UHFFFAOYSA-N
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DOI
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