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CAS 1213256-62-2

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Benzoic acid, 3-(cyclopropylmethoxy)-4-fluoro-, ethyl ester

Description:
Benzoic acid, 3-(cyclopropylmethoxy)-4-fluoro-, ethyl ester, identified by the CAS number 1213256-62-2, is an organic compound characterized by its ester functional group, which is derived from benzoic acid and ethanol. This compound features a benzoic acid backbone substituted with a cyclopropylmethoxy group and a fluorine atom at the para position relative to the carboxylic acid moiety. The presence of the cyclopropyl group contributes to its unique steric and electronic properties, potentially influencing its reactivity and interactions in various chemical environments. The fluorine atom can enhance the compound's lipophilicity and may affect its biological activity. Typically, esters like this one are known for their pleasant odors and are often used in flavoring and fragrance applications. Additionally, the compound may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry. Its solubility, stability, and reactivity would depend on the specific conditions and solvents used in experiments or applications.
Formula:C13H15FO3
InChI:InChI=1S/C13H15FO3/c1-2-16-13(15)10-5-6-11(14)12(7-10)17-8-9-3-4-9/h5-7,9H,2-4,8H2,1H3
InChI key:InChIKey=FPLGHVNXMVPKQJ-UHFFFAOYSA-N
SMILES:O(CC1CC1)C2=CC(C(OCC)=O)=CC=C2F
Synonyms:
  • 3-(Cyclopropylmethoxy)-4-fluorobenzoic acid ethyl ester
  • Ethyl 3-(cyclopropylmethoxy)-4-fluorobenzoate
  • Benzoic acid, 3-(cyclopropylmethoxy)-4-fluoro-, ethyl ester
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