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CAS 1007455-23-3

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Benzoic acid, 2-cyano-4-fluoro-5-methoxy-, methyl ester

Description:
Benzoic acid, 2-cyano-4-fluoro-5-methoxy-, methyl ester, identified by the CAS number 1007455-23-3, is an organic compound characterized by its functional groups and structural features. It contains a benzoic acid moiety with a methoxy group (-OCH3) and a cyano group (-CN) at the 2-position, along with a fluorine atom at the 4-position and a methyl ester group (-COOCH3) at the carboxylic acid site. This compound is typically a white to off-white solid and is soluble in organic solvents. Its unique combination of functional groups contributes to its potential applications in pharmaceuticals and agrochemicals, particularly in the synthesis of biologically active molecules. The presence of the cyano and fluoro groups may enhance its reactivity and influence its biological activity. As with many organic compounds, safety data should be consulted to understand its handling and potential hazards. Overall, this compound exemplifies the complexity and diversity of organic chemistry, showcasing how modifications to a basic structure can lead to varied properties and applications.
Formula:C10H8FNO3
InChI:InChI=1S/C10H8FNO3/c1-14-9-4-7(10(13)15-2)6(5-12)3-8(9)11/h3-4H,1-2H3
InChI key:InChIKey=BCLPGYZAAGVJHL-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(C#N)C=C(F)C(OC)=C1
Synonyms:
  • Benzoic acid, 2-cyano-4-fluoro-5-methoxy-, methyl ester
  • Methyl 2-cyano-4-fluoro-5-methoxybenzoate
  • 2-Cyano-4-fluoro-5-methoxybenzoic acid methyl ester
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