8-Bromoxanthine

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Properties Simple | Detailed

Formula C5H7BrN4O2
IUPAC Name 8-bromo-3,7-dihydropurine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 235.039 g·mol−1
Heat of Formation -156.4 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 182.43 Å 3
Surface Area 184.8 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-purine-2,6-dione, 8-bromo-3,7-dihydro-
  • 1h-purine-2,6-dione, 8-bromo-3,7-dihydro- (9ci)
  • 8-bromo-7h-xanthine
  • 8-bromopurine-2,6-diol
  • xanthine, 8-bromo-
  • xanthine, 8-bromo- (8ci)
CAS Number(s)
  • 10357-68-3
InChIKey ZFQWSCZYQLPFFZ-UHFFFAOYSA-N
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Elements H C O Br N