1-[3-(4-Azidobenzyl)-2,4,6-Trihydroxyphenyl]-3-(4-Hydroxyphenyl)-1-Propanone

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Properties Simple | Detailed

Formula C22H19N3O5
IUPAC Name 1-[3-[(4-azidophenyl)methyl]-2,4,6-trihydroxy-phenyl]-3-(4-hydroxyphenyl)propan-1-one
Molecular Mass 405.403 g·mol−1
Heat of Formation -406.2 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 460.4 Å 3
Surface Area 406.55 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy 2.32 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[3-(4-azidobenzyl)-2,4,6-trihydroxy-phenyl]-3-(4-hydroxyphenyl)propan-1-one
  • 1-[3-[(4-azidophenyl)methyl]-2,4,6-trihydroxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
  • 1-propanone, 1-(3-((4-azidophenyl)methyl)-2,4,6-trihydroxyphenyl)-3-(4-hydroxyphenyl)-
  • pbaz
  • phloretinyl-3'-benzylazide
CAS Number(s)
  • 80860-95-3
InChIKey QWEKLDWWKXVTGE-UHFFFAOYSA-N
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