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

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Properties Simple | Detailed

Formula C28H27ClO4S
IUPAC Name 2-[3-chloro-4-[3-(3-phenyl-7-propyl-benzofuran-6-yl)oxypropylsulfanyl]phenyl]acetic acid
Molecular Mass 495.030 g·mol−1
Heat of Formation -485.1 ± 16.7 kJ·mol−1
Dipole Moment 1.76 ± 1.08 D
Volume 577.65 Å 3
Surface Area 467.67 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy 2.26 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[3-chloro-4-[3-(3-phenyl-7-propyl-benzofuran-6-yl)oxypropylthio]phenyl]acetic acid
  • 2-[3-chloro-4-[3-[(3-phenyl-7-propyl-1-benzofuran-6-yl)oxy]propylsulfanyl]phenyl]ethanoic acid
  • 2-[3-chloro-4-[3-[(3-phenyl-7-propyl-6-benzofuranyl)oxy]propylthio]phenyl]acetic acid
InChIKey KAPDPGZDHUCILF-UHFFFAOYSA-N
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Elements H S C O Cl