(2S,3S)-8-Chloro-5,7-Dihydroxy-2-(4-Hydroxyphenyl)-3-Methyl-2,3-Dihydro-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C16H13ClO5
IUPAC Name (2s,3s)-8-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-chroman-4-one
Molecular Mass 320.724 g·mol−1
Heat of Formation -769.3 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 340.63 Å 3
Surface Area 300.32 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-8-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-4-chromanone
  • (2s,3s)-8-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-chroman-4-one
  • (2s,3s)-8-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchroman-4-one
  • (2s-cis)-8-chloro-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-4h-1-benzopyran-4-one
  • 4h-1-benzopyran-4-one, 8-chloro-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-, (2s-cis)-
  • 8-chloro-2(s)-3(s)-3-methyl-4',5,7-trihydroxyflavanone
  • be 14348d
  • be 14348e
  • be-14348d
CAS Number(s)
  • 132342-07-5
InChIKey ZOHPKYIJNNAJAJ-MLXNANBUSA-N
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Elements H C O Cl