4-[5-Bromo-2-(4-Fluorophenyl)-3-Thienyl]Phenyl Methyl Sulfone

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Properties Simple | Detailed

Formula C17H12BrFO2S2
IUPAC Name 5-bromo-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)thiophene
Molecular Mass 411.308 g·mol−1
Heat of Formation -223.2 ± 16.7 kJ·mol−1
Dipole Moment 5.05 ± 1.08 D
Volume 389.74 Å 3
Surface Area 335.31 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy -1.37 ± eV
Point Group Symmetry Cs
Synonyms
  • 5-bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)thiophene
  • 5-bromo-2-(4-fluorophenyl)-3-(4-mesylphenyl)thiophene
  • 5-bromo-2-(4-fluorophenyl)-3-(4-methysulfonylphenyl)thiophene
  • dup 697
  • dup-697
  • tocris-1430
CAS Number(s)
  • 88149-94-4
InChIKey AJFTZWGGHJXZOB-UHFFFAOYSA-N
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Elements C F H O S Br