6,4'-Dihydroxy-3-Methyl-3',5'-Dibromoflavone

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Properties Simple | Detailed

Formula C16H11Br2O4+
IUPAC Name 2-(3,5-dibromo-4-hydroxy-phenyl)-6-hydroxy-3-methyl-chromen-1-ium-4-one
Molecular Mass 427.064 g·mol−1
Heat of Formation -391.6 ± 16.7 kJ·mol−1
Dipole Moment 1.66 ± 1.08 D
Volume 360.2 Å 3
Surface Area 322.98 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -1.43 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3,5-dibromo-4-hydroxy-phenyl)-6-hydroxy-3-methyl-chromen-4-one
  • 2-(3,5-dibromo-4-hydroxy-phenyl)-6-hydroxy-3-methyl-chromone
  • 2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4-chromenone
  • 3-methyl-4',6-dihydroxy-3',5'-dibromoflavone
  • 4h-1-benzopyran-4-one, 2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-
  • emd 21388
  • fl8
CAS Number(s)
  • 104567-72-8
InChIKey GKDYOXMZSXVKPP-UHFFFAOYSA-N
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Elements H C O Br