6-Chloro-7-Methylpurine

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Properties Simple | Detailed

Formula C6H5ClN4
IUPAC Name 6-chloro-7-methyl-purine
Molecular Mass 168.584 g·mol−1
Heat of Formation 283.5 ± 16.7 kJ·mol−1
Dipole Moment 6.10 ± 1.08 D
Volume 177.22 Å 3
Surface Area 174.75 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry Cs
Synonyms
  • 6-chloro-7-methyl-purine
  • 7-methyl-6-chloropurine
  • 7h-purine, 6-chloro-7-methyl-
  • 7h-purine, 6-chloro-7-methyl- (9ci)
CAS Number(s)
  • 5440-17-5
InChIKey NCZREVPKGQGLFM-UHFFFAOYSA-N
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Elements H C N Cl