6-Bromo-1H-Purine

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Properties Simple | Detailed

Formula C5H3BrN4
IUPAC Name 6-bromo-7h-purine
Molecular Mass 199.008 g·mol−1
Heat of Formation 337.8 ± 16.7 kJ·mol−1
Dipole Moment 5.32 ± 1.08 D
Volume 162.27 Å 3
Surface Area 164.57 Å 2
HOMO Energy -10.06 ± 0.55 eV
LUMO Energy -1.68 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-purine, 6-bromo-
  • 1h-purine, 6-bromo- (9ci)
  • 6-bromo purine
  • 6-bromo-7h-purine
  • 6-bromopurine
  • bb-127e
  • bp1
  • bromopurine
  • purine, 6-bromo-
CAS Number(s)
  • 767-69-1
InChIKey CTGFGRDVWBZYNB-UHFFFAOYSA-N
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Elements H C Br N