(3As,4R,9Br)-2,2-Difluoro-4-(4-Hydroxyphenyl)-1,2,3,3A,4,9B-Hexahydrocyclopenta[C]Chromen-8-Ol

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Formula C18H16F2O3
IUPAC Name (3as,4r,9br)-2,2-difluoro-4-(4-hydroxyphenyl)-3,3a,4,9b-tetrahydro-1h-cyclopenta[c]chromen-8-ol
Molecular Mass 318.315 g·mol−1
Heat of Formation -820.3 ± 16.7 kJ·mol−1
Dipole Moment 1.91 ± 1.08 D
Volume 354.41 Å 3
Surface Area 306.77 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • 8
  • c
  • d
InChIKey QJSMFUTULGSHNQ-ZOBUZTSGSA-N
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