8-Chloroadenine

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Properties Simple | Detailed

Formula C5H4ClN5
IUPAC Name 8-chloropurin-7-ium-6-amine
Molecular Mass 169.572 g·mol−1
Heat of Formation 304.8 ± 16.7 kJ·mol−1
Dipole Moment 7.81 ± 1.08 D
Volume 171.16 Å 3
Surface Area 174.46 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy 2.09 ± eV
Point Group Symmetry Cs
Synonyms
  • (8-chloro-7h-purin-6-yl)amine
  • 8-chloro-7h-purin-6-amine
  • 9h-purin-6-amine, 8-chloro-
  • adenine, 8-chloro-
CAS Number(s)
  • 28128-28-1
InChIKey FBVALAOQISRDRY-UHFFFAOYSA-N
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Elements H C N Cl