8-Bromoguanine

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Properties Simple | Detailed

Formula C5H11BrN5O+
IUPAC Name 2-amino-8-bromo-3,7-dihydropurine-1,2,4,5,8,9-hexaid-6-one
Molecular Mass 237.078 g·mol−1
Heat of Formation 123.6 ± 16.7 kJ·mol−1
Dipole Moment 3.65 ± 1.08 D
Volume 186.17 Å 3
Surface Area 189.45 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy 2.32 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-8-bromo-1,7-dihydro-6h-purin-6-one
  • 2-amino-8-bromo-1,9-dihydro-purin-6-one
  • 2-amino-8-bromo-3,7-dihydropurin-6-one
  • bb_nc-1467
  • brg
  • oprea1_446829
  • oprea1_518355
CAS Number(s)
  • 3066-84-0
InChIKey CRYCZDRIXVHNQB-UHFFFAOYSA-N
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Elements H C O Br N