Cas no 203314-31-2 (methyl 2-(2-fluoro-5-methylphenyl)acetate)

Methyl 2-(2-fluoro-5-methylphenyl)acetate is a fluorinated aromatic ester with applications in pharmaceutical and agrochemical synthesis. Its key advantages include a stable molecular structure due to the fluorine substituent, which enhances metabolic stability in active compounds. The methyl ester group provides versatility for further functionalization, such as hydrolysis to carboxylic acids or transesterification. The compound's fluorine and methyl substitutions contribute to improved lipophilicity, making it valuable in drug design for optimizing bioavailability. Its well-defined purity and consistent reactivity make it a reliable intermediate for research and industrial processes. Suitable for controlled reactions, it is often employed in fine chemical and medicinal chemistry applications.
methyl 2-(2-fluoro-5-methylphenyl)acetate structure
203314-31-2 structure
Product Name:methyl 2-(2-fluoro-5-methylphenyl)acetate
CAS No:203314-31-2
MF:C10H11FO2
MW:182.191546678543
CID:3890990
PubChem ID:86187738
Update Time:2025-10-29

methyl 2-(2-fluoro-5-methylphenyl)acetate Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetic acid, 2-fluoro-5-methyl-, methyl ester
    • methyl 2-(2-fluoro-5-methylphenyl)acetate
    • DB-142731
    • 203314-31-2
    • Inchi: 1S/C10H11FO2/c1-7-3-4-9(11)8(5-7)6-10(12)13-2/h3-5H,6H2,1-2H3
    • InChI Key: MPFZESRBPIBGFQ-UHFFFAOYSA-N
    • SMILES: FC1=CC=C(C)C=C1CC(=O)OC

Computed Properties

  • Exact Mass: 182.07430775Da
  • Monoisotopic Mass: 182.07430775Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 182
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 26.3?2

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