6-Chloropurine

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Properties Simple | Detailed

Formula C5H3ClN4
IUPAC Name 6-chloro-7h-purine-1,3,9-triium-5-ide
Molecular Mass 154.557 g·mol−1
Heat of Formation 296.1 ± 16.7 kJ·mol−1
Dipole Moment 5.08 ± 1.08 D
Volume 155.69 Å 3
Surface Area 158.96 Å 2
HOMO Energy -10.21 ± 0.55 eV
LUMO Energy -1.70 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-purine, 6-chloro-
  • 1h-purine, 6-chloro- (9ci)
  • 6-chloro-1h-purine
  • 6-chloro-7h-purine
  • 6-chloro-9h-purine
  • 6-chlorpurine
  • 6-cp
  • purine, 6-chloro-
  • sk 6048
  • x 47
CAS Number(s)
  • 87-42-3
InChIKey ZKBQDFAWXLTYKS-UHFFFAOYSA-N
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Elements H C N Cl