3'-Chloro-2',5-Dihydroxy-3,7,8-Trimethoxyflavone

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Properties Simple | Detailed

Formula C18H16ClO7+
IUPAC Name 2-(3-chloro-2-hydroxy-phenyl)-5-hydroxy-3,7,8-trimethoxy-chromen-4-one
Molecular Mass 379.768 g·mol−1
Heat of Formation -918.6 ± 16.7 kJ·mol−1
Dipole Moment 4.48 ± 1.08 D
Volume 399.7 Å 3
Surface Area 345.47 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3-chloro-2-hydroxy-phenyl)-5-hydroxy-3,7,8-trimethoxy-chromone
  • 2-(3-chloro-2-hydroxyphenyl)-5-hydroxy-3,7,8-trimethoxy-4-chromenone
  • 2-(3-chloro-2-hydroxyphenyl)-5-hydroxy-3,7,8-trimethoxychromen-4-one
  • 4h-1-benzopyran-4-one, 2-(3-chloro-2-hydroxyphenyl)-5-hydroxy-3,7,8-trimethoxy-
  • chlorflavonin
  • flavone, 3'-chloro-2',5-dihydroxy-3,7,8-trimethoxy-
CAS Number(s)
  • 23363-64-6
InChIKey JLSQXYITDXJTKL-UHFFFAOYSA-N
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