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CAS 120100-77-8

:

2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid

Description:
2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid, with CAS number 120100-77-8, is a synthetic organic compound characterized by its complex structure, which includes a benzoic acid core substituted with a chlorine atom, a methylsulfonyl group, and a trifluoroethoxy side chain. This compound typically exhibits properties such as moderate solubility in organic solvents and limited solubility in water, which is common for many benzoic acid derivatives. The presence of the chlorine and trifluoroethoxy groups contributes to its potential biological activity and lipophilicity, making it of interest in pharmaceutical research. Additionally, the methylsulfonyl group may enhance its metabolic stability and influence its interaction with biological targets. Overall, this compound's unique functional groups suggest potential applications in medicinal chemistry, particularly in the development of agrochemicals or pharmaceuticals, where its specific interactions with biological systems can be further explored.
Formula:C11H10ClF3O5S
InChI:InChI=1S/C11H10ClF3O5S/c1-21(18,19)8-3-2-6(10(16)17)9(12)7(8)4-20-5-11(13,14)15/h2-3H,4-5H2,1H3,(H,16,17)
InChI key:InChIKey=YGMJOCQCLVNPOD-UHFFFAOYSA-N
SMILES:C(OCC(F)(F)F)C1=C(S(C)(=O)=O)C=CC(C(O)=O)=C1Cl
Synonyms:
  • 2-chloro-4-methanesulfonyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoicacid
  • 2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid
  • Benzoic acid, 2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]-
  • 2-Chloro-4-methylsulfonyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid
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