[(1E)-5-Fluoro-2-Methyl-1-{4-[(R)-Methylsulfinyl]Benzylidene}-1H-Inden-3-Yl]Acetic Acid

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Properties Simple | Detailed

Formula C20H17FO3S
IUPAC Name 2-[(3e)-6-fluoro-2-methyl-3-[[4-[(r)-methylsulfinyl]phenyl]methylene]inden-1-yl]acetic acid
Molecular Mass 356.411 g·mol−1
Heat of Formation -416.9 ± 16.7 kJ·mol−1
Dipole Moment 2.58 ± 1.08 D
Volume 413.44 Å 3
Surface Area 352.8 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(3e)-6-fluoro-2-methyl-3-[4-[(r)-methylsulfinyl]benzylidene]inden-1-yl]acetic acid
  • 2-[(3e)-6-fluoro-2-methyl-3-[[4-[(r)-methylsulfinyl]phenyl]methylene]-1-indenyl]acetic acid
  • 2-[(3e)-6-fluoro-2-methyl-3-[[4-[(r)-methylsulfinyl]phenyl]methylene]inden-1-yl]acetic acid
  • 2-[(3e)-6-fluoro-2-methyl-3-[[4-[(r)-methylsulfinyl]phenyl]methylidene]inden-1-yl]ethanoic acid
InChIKey MLKXDPUZXIRXEP-SFEFPRELSA-N
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