2-Bromo-1,7-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C5H3BrN4O
IUPAC Name 2-bromopurin-7-ium-1-id-6-ol
Molecular Mass 215.008 g·mol−1
Heat of Formation 135.7 ± 16.7 kJ·mol−1
Dipole Moment 6.51 ± 1.08 D
Volume 172.14 Å 3
Surface Area 175.55 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy 1.86 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-bromo-1,9-dihydro-purin-6-one
  • 2-bromo-3,7-dihydropurin-6-one
  • 2-bromo-6-hydroxy-purine
  • 2-bromohypoxanthine
  • bas 01118237
  • boa
  • tulip028782
CAS Number(s)
  • 87781-93-9
InChIKey ONXCBJOMYNPZNI-UHFFFAOYSA-N
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Elements H C Br O N