5-Bromo-1,3,6-Trimethyl-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C7H9BrN2O2++
IUPAC Name 5-bromo-1,3,6-trimethyl-pyrimidine-2,4-dione
Molecular Mass 233.063 g·mol−1
Heat of Formation -320.7 ± 16.7 kJ·mol−1
Dipole Moment 5.31 ± 1.08 D
Volume 209.84 Å 3
Surface Area 200.47 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 2.45 ± eV
Point Group Symmetry Cs
Synonyms
  • 2,4(1h,3h)-pyrimidinedione, 5-bromo-1,3,6-trimethyl-
  • 5-bromo-1,3,6-trimethyl-pyrimidine-2,4-quinone
  • 5-bromo-1,3,6-trimethylpyrimidine-2,4-dione
  • 5-bromo-1,3,6-trimethyluracil
  • cbiol_000196
  • iccb2_000196
  • uracil, 5-bromo-1,3,6-trimethyl-
CAS Number(s)
  • 15018-59-4
InChIKey RJNYZLOAGXCCHJ-UHFFFAOYSA-N
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Elements H C O Br N