{[3-(3-Chlorophenyl)-1,2,4-Oxadiazol-5-Yl]Sulfanyl}Acetic Acid

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Properties Simple | Detailed

Formula C10H7ClN2O3S
IUPAC Name 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
Molecular Mass 270.692 g·mol−1
Heat of Formation -164.2 ± 16.7 kJ·mol−1
Dipole Moment 3.35 ± 1.08 D
Volume 277.96 Å 3
Surface Area 268.88 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy 1.75 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]ethanoic acid
  • 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]thio]acetic acid
  • cco
InChIKey BGDMJXZYDKFEGJ-UHFFFAOYSA-N
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Elements C Cl H O N S