2,6,8-Trichloro-1H-Purine

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Properties Simple | Detailed

Formula C5HCl3N4
IUPAC Name 2,6,8-trichloropurin-7-ium
Molecular Mass 223.447 g·mol−1
Heat of Formation 284.7 ± 16.7 kJ·mol−1
Dipole Moment 5.74 ± 1.08 D
Volume 200.82 Å 3
Surface Area 199.18 Å 2
HOMO Energy -10.23 ± 0.55 eV
LUMO Energy -1.78 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-purine, 2,6,8-trichloro-
  • 1h-purine, 2,6,8-trichloro- (9ci)
  • 2,6,8-trichloro-7h-purine
  • 2,6,8-trichloropurine
  • purine, 2,6,8-trichloro-
  • purine, 2,6,8-trichloro- (van)
CAS Number(s)
  • 2562-52-9
InChIKey XPTCECRKQRKFLH-UHFFFAOYSA-N
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DOI
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Elements H C N Cl