5-Bromo-6-Azauracil

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Properties Simple | Detailed

Formula C3H2BrN3O2
IUPAC Name 6-bromo-2h-1,2,4-triazine-3,5-dione
Molecular Mass 191.971 g·mol−1
Heat of Formation -176.9 ± 16.7 kJ·mol−1
Dipole Moment 1.45 ± 1.08 D
Volume 143.61 Å 3
Surface Area 151.02 Å 2
HOMO Energy -10.10 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry Cs
Synonyms
  • 6-bromo-2h-1,2,4-triazine-3,5-quinone
  • 6-bromo-[1,2,4]triazine-3,5-diol
  • 6-bromo-as-triazine-3,5(2h,4h)-dione
  • ae-641/01647016
  • as-triazine-3,5(2h,4h)-dione, 6-bromo-
  • bas 02998903
CAS Number(s)
  • 4956-05-2
InChIKey VNTFEWXYAOATFA-UHFFFAOYSA-N
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Elements H C O Br N