4-(6-Chloro-2,4-Dioxo-1,2,3,4-Tetrahydro-5-Pyrimidinyl)Butyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C8H12ClN2O6P
IUPAC Name 4-(6-chloro-2,4-dioxo-1h-pyrimidin-5-yl)butyl dihydrogen phosphate
Molecular Mass 298.617 g·mol−1
Heat of Formation -1441.2 ± 16.7 kJ·mol−1
Dipole Moment 3.12 ± 1.08 D
Volume 303.77 Å 3
Surface Area 289.36 Å 2
HOMO Energy -10.05 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(4-chloro-2,6-diketo-3h-pyrimidin-5-yl)butyl dihydrogen phosphate
  • jcl
InChIKey DAUATIBSDSXXHA-UHFFFAOYSA-N
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Elements C Cl H O N P