2-Bromo-6-Chloro-7H-Purine

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Properties Simple | Detailed

Formula C5H2BrClN4
IUPAC Name 2-bromo-6-chloro-purin-7-ium-1-ide
Molecular Mass 233.453 g·mol−1
Heat of Formation 312.1 ± 16.7 kJ·mol−1
Dipole Moment 5.99 ± 1.08 D
Volume 184.07 Å 3
Surface Area 184.13 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy 1.43 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-bromo-6-chloro-purine
  • bcp
InChIKey VLGHYTLGJNPTEN-UHFFFAOYSA-N
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Elements H C N Br Cl