6-(Bromomethyl)-7H-Purine

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Properties Simple | Detailed

Formula C6H5BrN4
IUPAC Name 6-(bromomethyl)purin-7-ium
Molecular Mass 213.035 g·mol−1
Heat of Formation 306.2 ± 16.7 kJ·mol−1
Dipole Moment 5.61 ± 1.08 D
Volume 182.39 Å 3
Surface Area 180.01 Å 2
HOMO Energy -10.06 ± 0.55 eV
LUMO Energy -1.63 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-purine, 6-(bromomethyl)-
  • 6-(bromomethyl)-9h-purine
  • 6-bmpu
CAS Number(s)
  • 14225-98-0
InChIKey KJRSLPCFTVMQGY-UHFFFAOYSA-N
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DOI
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Elements H C Br N