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CAS 34576-92-6

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3-Chloro-6-fluorobenzo[b]thiophene-2-carboxylic acid

Description:
3-Chloro-6-fluorobenzo[b]thiophene-2-carboxylic acid is a heterocyclic aromatic compound characterized by the presence of a benzo[b]thiophene ring system, which incorporates both sulfur and carbon atoms. The compound features a carboxylic acid functional group (-COOH) at the 2-position, contributing to its acidity and potential reactivity. The chlorine atom is located at the 3-position, while a fluorine atom is situated at the 6-position of the benzo[b]thiophene ring, which can influence the compound's electronic properties and reactivity. This substitution pattern can affect its solubility, stability, and interaction with biological systems. The presence of halogens (chlorine and fluorine) often enhances lipophilicity, which may impact the compound's pharmacokinetics if it is considered for pharmaceutical applications. Additionally, the compound may exhibit interesting properties such as fluorescence or specific reactivity in organic synthesis, making it a subject of interest in both materials science and medicinal chemistry.
Formula:C9H4ClFO2S
InChI:InChI=1/C9H4ClFO2S/c10-7-5-2-1-4(11)3-6(5)14-8(7)9(12)13/h1-3H,(H,12,13)
InChI key:InChIKey=HSRSWUJIPYUCSE-UHFFFAOYSA-N
SMILES:ClC=1C=2C(SC1C(O)=O)=CC(F)=CC2
Synonyms:
  • 3-Chloro-6-fluorobenzo[b]thiophene-2-carboxylic acid
  • Benzo[b]thiophene-2-carboxylic acid, 3-chloro-6-fluoro-
  • 3-Chloro-6-fluoro-1-benzothiophene-2-carboxylic acid
  • See more synonyms
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