2,3,5,6-Tetrafluoro-4-Sulfanylbenzoic Acid

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Properties Simple | Detailed

Formula C7H2F4O2S
IUPAC Name 2,3,5,6-tetrafluoro-4-sulfanyl-benzoic acid
Molecular Mass 226.148 g·mol−1
Heat of Formation -993.8 ± 16.7 kJ·mol−1
Dipole Moment 2.78 ± 1.08 D
Volume 203.56 Å 3
Surface Area 196.14 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy 1.05 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3,5,6-tetrafluoro-4-mercapto-benzoic acid
  • 2,3,5,6-tetrafluoro-4-mercaptobenzoic acid
CAS Number(s)
  • 5211-44-9
InChIKey USFMEWZQIHKRDP-UHFFFAOYSA-N
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