Cas no 1214346-45-8 (Ethyl 2-fluoro-3-methoxybenzoate)

Ethyl 2-fluoro-3-methoxybenzoate is a fluorinated aromatic ester with a molecular formula of C??H??FO?. This compound features a methoxy group at the 3-position and a fluorine substituent at the 2-position of the benzoate ring, contributing to its unique reactivity and stability. It is commonly employed as an intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications, where its fluorine and methoxy functionalities enhance binding affinity and metabolic stability. The ethyl ester group provides versatility for further derivatization. Its well-defined structure and high purity make it suitable for precision chemical transformations. Proper handling and storage under inert conditions are recommended to maintain its integrity.
Ethyl 2-fluoro-3-methoxybenzoate structure
1214346-45-8 structure
Product Name:Ethyl 2-fluoro-3-methoxybenzoate
CAS No:1214346-45-8
MF:C10H11FO3
MW:198.190946817398
CID:2679142
Update Time:2025-06-07

Ethyl 2-fluoro-3-methoxybenzoate Chemical and Physical Properties

Names and Identifiers

    • ethyl 2-fluoro-3-methoxybenzoate
    • 2-Fluoro-3-methoxybenzoic acid ethyl ester
    • Ethyl 2-fluoro-3-methoxybenzoate
    • Inchi: 1S/C10H11FO3/c1-3-14-10(12)7-5-4-6-8(13-2)9(7)11/h4-6H,3H2,1-2H3
    • InChI Key: VEBOTEPTLHWNOR-UHFFFAOYSA-N
    • SMILES: FC1C(=CC=CC=1C(=O)OCC)OC

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 196
  • Topological Polar Surface Area: 35.5

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