(2,4-Dioxo-1,2,3,4-Tetrahydro-5-Pyrimidinyl)(Difluoro)Methanesulfonic Acid

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Properties Simple | Detailed

Formula C5H4F2N2O5S
IUPAC Name (2,4-dioxo-1h-pyrimidin-5-yl)-difluoro-methanesulfonic acid
Molecular Mass 242.157 g·mol−1
Heat of Formation -1231.0 ± 16.7 kJ·mol−1
Dipole Moment 3.50 ± 1.08 D
Volume 212.74 Å 3
Surface Area 202.85 Å 2
HOMO Energy -10.50 ± 0.55 eV
LUMO Energy 1.77 ± eV
Point Group Symmetry C1
Synonyms
  • (2,4-diketo-1h-pyrimidin-5-yl)-difluoro-methanesulfonic acid
  • (2,4-dioxo-1h-pyrimidin-5-yl)-difluoro-methanesulfonic acid
  • (2,4-dioxo-1h-pyrimidin-5-yl)-difluoromethanesulfonic acid
  • 5-(difluorosulfomethyl)uracil
  • 5-pyrimidinemethanesulfonic acid, alpha,alpha-difluoro-1,2,3,4-tetrahydro-2,4-dioxo-
CAS Number(s)
  • 158698-42-1
InChIKey ANUTZYGVCHGSQK-UHFFFAOYSA-N
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