3-Bromo-5,7-Dimethylpyrazolo[1,5-A]Pyrimidine

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Properties Simple | Detailed

Formula C8H8BrN3
IUPAC Name 3-bromo-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-8-ium
Molecular Mass 226.073 g·mol−1
Heat of Formation 289.7 ± 16.7 kJ·mol−1
Dipole Moment 4.63 ± 1.08 D
Volume 209.06 Å 3
Surface Area 206.41 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-bromo-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine
  • 3-bromo-5,7-dimethylpyrazolo(1,5-a)pyrimidine
  • pyrazolo(1,5-a)pyrimidine, 3-bromo-5,7-dimethyl-
CAS Number(s)
  • 41945-37-3
InChIKey WUPBXHOKESCXBJ-UHFFFAOYSA-N
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Elements H C Br N