9-Benzyl-2-Fluoro-9H-Purine

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Properties Simple | Detailed

Formula C12H9FN4
IUPAC Name 9-benzyl-2-fluoro-purin-9-ium
Molecular Mass 228.225 g·mol−1
Heat of Formation 235.8 ± 16.7 kJ·mol−1
Dipole Moment 5.09 ± 1.08 D
Volume 260.7 Å 3
Surface Area 241.38 Å 2
HOMO Energy -10.02 ± 0.55 eV
LUMO Energy -1.46 ± eV
Point Group Symmetry C1
Synonyms
  • 2-fbpu
  • 2-fluoro-9-benzylpurine
  • 9-(benzyl)-2-fluoro-purine
  • 9h-purine, 2-fluoro-9-(phenylmethyl)-
CAS Number(s)
  • 84003-58-7
InChIKey KXTNURUOEPAGMZ-UHFFFAOYSA-N
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Elements H C N F