2-Chloroadenine

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Properties Simple | Detailed

Formula C5H4ClN5
IUPAC Name 2-chloropurin-7-ium-6-amine
Molecular Mass 169.572 g·mol−1
Heat of Formation 295.5 ± 16.7 kJ·mol−1
Dipole Moment 9.35 ± 1.08 D
Volume 169.99 Å 3
Surface Area 173.85 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 2.09 ± eV
Point Group Symmetry Cs
Synonyms
  • (2-chloro-7h-purin-6-yl)amine
  • 1h-purin-6-amine, 2-chloro-
  • 2-chloro-7h-purin-6-amine
  • 2-chloro-9h-purin-6-amine
  • 6-amino-2-chloropurine
  • 9h-purin-6-amine, 2-chloro-
  • adenine, 2-chloro-
  • purine, 6-amino-2-chloro-
  • sq 22,982
  • sq 22982
CAS Number(s)
  • 1839-18-5
InChIKey HBJGQJWNMZDFKL-UHFFFAOYSA-N
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Elements H C N Cl