4,4'-(2,3-Dimethyl-2,3-Butanediyl)Bis(3-Fluorophenol)

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Properties Simple | Detailed

Formula C18H20F2O2
IUPAC Name 3-fluoro-4-[2-(2-fluoro-4-hydroxy-phenyl)-1,1,2-trimethyl-propyl]phenol
Molecular Mass 306.347 g·mol−1
Heat of Formation -668.9 ± 16.7 kJ·mol−1
Dipole Moment 2.51 ± 1.08 D
Volume 362.46 Å 3
Surface Area 291.52 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3-bis(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutane
  • 3-fluoro-4-[2-(2-fluoro-4-hydroxyphenyl)-1,1,2-trimethylpropyl]phenol
  • 3-fluoro-4-[3-(2-fluoro-4-hydroxy-phenyl)-2,3-dimethyl-butan-2-yl]phenol
  • 3-fluoro-4-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol
  • bfhdb
  • d-18954
  • phenol, 4,4'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis(3-fluoro-
CAS Number(s)
  • 96826-17-4
InChIKey IUTGISNYEDWTCS-UHFFFAOYSA-N
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