5-Iodouracil

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Properties Simple | Detailed

Formula C4H3IN2O2++
IUPAC Name 5-iodopyrimidin-1-ium-5-ide-2,4-dione
Molecular Mass 237.983 g·mol−1
Heat of Formation -220.2 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 159.62 Å 3
Surface Area 162.7 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry Cs
Synonyms
  • 2,4(1h,3h)-pyrimidinedione, 5-iodo-
  • 2,4-dihydroxy-5-iodopyrimidine
  • 5-iodopyrimidine-2,4(1h,3h)-dione
  • 5909-21-7 (deleted)
  • iur
  • uracil, 5-iodo-
  • uracil, 5-iodo- (van) (8ci)
CAS Number(s)
  • 5909-21-7
  • 696-07-1
InChIKey KSNXJLQDQOIRIP-UHFFFAOYSA-N
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