{4-[({2-[3-Fluoro-4-(Trifluoromethyl)Phenyl]-4-Methyl-1,3-Thiazol-5-Yl}Methyl)Sulfanyl]-2-Methylphenoxy}Acetic Acid

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Properties Simple | Detailed

Formula C21H18F4NO3S2
IUPAC Name 2-[4-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-thiazol-3-ium-5-id-5-yl]methylsulfanyl]-2-methyl-phenoxy]acetic acid
Molecular Mass 472.496 g·mol−1
Heat of Formation -1143.1 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 503.91 Å 3
Surface Area 374.76 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-2-methyl-phenoxy]ethanoic acid
  • 2-[4-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-2-methylphenoxy]acetic acid
  • 2-[4-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5-thiazolyl]methylthio]-2-methylphenoxy]acetic acid
  • 2-[4-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-thiazol-5-yl]methylthio]-2-methyl-phenoxy]acetic acid
  • 4-[2-(3-fluoro-4-trifluoromethyl-phenyl)-4-methyl-thiazol-5-ylmethylsulfanyl]- 2-methyl-phenoxy}-acetic acid
  • gw 0742
  • gw-0742
  • gw-610742
  • gw0742
CAS Number(s)
  • 317318-84-6
InChIKey HWVNEWGKWRGSRK-UHFFFAOYSA-N
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