{3-Chloro-4-[(3-{[7-Propyl-3-(Trifluoromethyl)-1,2-Benzoxazol-6-Yl]Oxy}Propyl)Sulfanyl]Phenyl}Acetic Acid

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Properties Simple | Detailed

Formula C22H21ClF3NO4S
IUPAC Name 2-[3-chloro-4-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propylsulfanyl]phenyl]acetic acid
Molecular Mass 487.920 g·mol−1
Heat of Formation -1077.8 ± 16.7 kJ·mol−1
Dipole Moment 2.31 ± 1.08 D
Volume 545.56 Å 3
Surface Area 435.36 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[3-chloro-4-[3-[7-propyl-3-(trifluoromethyl)indoxazen-6-yl]oxypropylthio]phenyl]acetic acid
  • 2-[3-chloro-4-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propylsulfanyl]phenyl]ethanoic acid
  • 2-[3-chloro-4-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propylthio]phenyl]acetic acid
InChIKey TZBRFAASYWFUGK-UHFFFAOYSA-N
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