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CAS 1301739-14-9

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3-[(Trifluoromethyl)sulfonyl]benzeneacetic acid

Description:
3-[(Trifluoromethyl)sulfonyl]benzeneacetic acid, identified by its CAS number 1301739-14-9, is an organic compound characterized by the presence of a benzene ring substituted with both a trifluoromethyl group and a sulfonyl moiety, along with an acetic acid functional group. This compound typically exhibits properties associated with both aromatic and carboxylic acid functionalities, including potential acidity due to the carboxylic acid group. The trifluoromethyl group contributes to its lipophilicity and can enhance the compound's biological activity, making it of interest in pharmaceutical applications. The sulfonyl group can impart unique reactivity and stability, influencing the compound's interactions in various chemical environments. Overall, this compound may exhibit significant polar characteristics due to the presence of the sulfonyl and carboxylic acid groups, while the trifluoromethyl group can affect its solubility and reactivity. Its specific applications and behavior would depend on the context of use, particularly in medicinal chemistry or materials science.
Formula:C9H7F3O4S
InChI:InChI=1S/C9H7F3O4S/c10-9(11,12)17(15,16)7-3-1-2-6(4-7)5-8(13)14/h1-4H,5H2,(H,13,14)
InChI key:InChIKey=VIVJZKQKYMFSQA-UHFFFAOYSA-N
SMILES:S(C(F)(F)F)(=O)(=O)C1=CC(CC(O)=O)=CC=C1
Synonyms:
  • 3-[(Trifluoromethyl)sulfonyl]benzeneacetic acid
  • Benzeneacetic acid, 3-[(trifluoromethyl)sulfonyl]-
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