Cas no 1261980-91-9 (4-(3,5-Dimethoxyphenyl)-2-fluorobenzoic acid)

4-(3,5-Dimethoxyphenyl)-2-fluorobenzoic acid is a fluorinated benzoic acid derivative featuring dimethoxy-substituted phenyl groups, which enhance its utility in organic synthesis and pharmaceutical research. The fluorine atom at the 2-position and the electron-donating methoxy groups contribute to its unique reactivity, making it a valuable intermediate for constructing complex molecules. Its structural features allow for selective functionalization, particularly in cross-coupling reactions and as a precursor for bioactive compounds. The compound exhibits good stability under standard conditions, facilitating handling and storage. Its well-defined molecular structure ensures reproducibility in synthetic applications, supporting its use in medicinal chemistry and material science research.
4-(3,5-Dimethoxyphenyl)-2-fluorobenzoic acid structure
1261980-91-9 structure
Product Name:4-(3,5-Dimethoxyphenyl)-2-fluorobenzoic acid
CAS No:1261980-91-9
MF:C15H13FO4
MW:276.259728193283
MDL:MFCD18321409
CID:1039120
PubChem ID:53227281
Update Time:2025-05-27

4-(3,5-Dimethoxyphenyl)-2-fluorobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Fluoro-3',5'-dimethoxy-[1,1'-biphenyl]-4-carboxylic acid
    • 4-(3,5-dimethoxyphenyl)-2-fluorobenzoic acid
    • ACMC-209b9e
    • AK-96300
    • ANW-18864
    • CTK8A9874
    • KB-236064
    • MolPort-015-154-550
    • 1261980-91-9
    • 3-Fluoro-3',5'-dimethoxy-[1,1'-biphenyl]-4-carboxylicacid
    • AKOS016001180
    • [1,1'-Biphenyl]-4-carboxylic acid, 3-fluoro-3',5'-dimethoxy-
    • MFCD18321409
    • 3-Fluoro-3',5'-dimethoxy[1,1'-biphenyl]-4-carboxylic acid
    • BS-20363
    • DTXSID40690868
    • 4-(3,5-Dimethoxyphenyl)-2-fluorobenzoic acid
    • MDL： MFCD18321409
    • Inchi： 1S/C15H13FO4/c1-19-11-5-10(6-12(8-11)20-2)9-3-4-13(15(17)18)14(16)7-9/h3-8H,1-2H3,(H,17,18)
    • InChI Key： UEAGNAKLMVQVES-UHFFFAOYSA-N
    • SMILES： FC1=C(C(=O)O)C=CC(=C1)C1C=C(C=C(C=1)OC)OC

Computed Properties

  • Exact Mass: 276.08000
  • Monoisotopic Mass: 276.07978705g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 324
  • 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: 3.1
  • Topological Polar Surface Area: 55.8?2

Experimental Properties

  • PSA: 55.76000
  • LogP: 3.20810

4-(3,5-Dimethoxyphenyl)-2-fluorobenzoic acid Customs Data

  • HS CODE：2922299090
  • Customs Data：

    China Customs Code:

    2922299090

    Overview:

    2922299090. Other amino groups(naphthol\phenol)And ether\Esters [including their salts, Except those containing more than one oxygen-containing group]. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared

    Summary:

    2922299090. other amino-naphthols and other amino-phenols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

4-(3,5-Dimethoxyphenyl)-2-fluorobenzoic acid Pricemore >>

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D479343-500mg
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D479343-1g
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1PlusChem
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