4-Azidophenyl Hydrogen 1H-Imidazol-1-Ylphosphonate

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Properties Simple | Detailed

Formula C9H9N5O3P
IUPAC Name (4-azidophenoxy)-(4h-imidazol-3-ium-4-ylium-3-yl)phosphinic acid
Molecular Mass 266.173 g·mol−1
Heat of Formation -237.8 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 284.3 Å 3
Surface Area 257.77 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • (4-azidophenoxy)-(1-imidazolyl)phosphinic acid
  • (4-azidophenoxy)-imidazol-1-yl-phosphinic acid
  • 4-appi
  • 4-azidophenylphosphorimidazolidate
  • para-azidophenylphosphorimidazolidate
  • phosphonic acid, 1h-imidazol-1-yl-, mono(4-azidophenyl) ester
CAS Number(s)
  • 76611-60-4
InChIKey YJUYZTPBPFBBCK-UHFFFAOYSA-N
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