3-Bromo-5-(2H-Tetrazol-5-Yl)Pyridine

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Properties Simple | Detailed

Formula C6H4BrN5
IUPAC Name 3-bromo-5-(3,4-diaza-2-azonia-1-azanidacyclopenta-2,4-dien-5-yl)pyridine
Molecular Mass 226.033 g·mol−1
Heat of Formation 489.7 ± 16.7 kJ·mol−1
Dipole Moment 2.31 ± 1.08 D
Volume 193.26 Å 3
Surface Area 192.47 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy 0.58 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-bromo-5-(2h-1,2,3,4-tetrazol-5-yl)pyridine
  • 5-(5-bromo-3-pyridyl)-1h-tetrazole
InChIKey XJGDASCALCDOQH-UHFFFAOYSA-N
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Elements H C Br N