Cas no 898752-96-0 (ethyl 4-(2,3-difluorophenyl)-4-oxobutanoate)

ethyl 4-(2,3-difluorophenyl)-4-oxobutanoate structure
898752-96-0 structure
Product Name:ethyl 4-(2,3-difluorophenyl)-4-oxobutanoate
CAS No:898752-96-0
MF:C12H12F2O3
MW:242.218690872192
CID:866973
PubChem ID:24727386
Update Time:2025-04-19

ethyl 4-(2,3-difluorophenyl)-4-oxobutanoate Chemical and Physical Properties

Names and Identifiers

    • ethyl 4-(2,3-difluorophenyl)-4-oxobutanoate
    • ETHYL 4-(2,3-DIFLUOROPHENYL)-4-OXOBUTYRATE
    • MFCD01320277
    • AKOS012978641
    • ETHYL4-(2,3-DIFLUOROPHENYL)-4-OXOBUTYRATE
    • 898752-96-0
    • DTXSID40645611
    • MDL： MFCD01320277
    • Inchi： 1S/C12H12F2O3/c1-2-17-11(16)7-6-10(15)8-4-3-5-9(13)12(8)14/h3-5H,2,6-7H2,1H3
    • InChI Key： BARJXDORRJTNEF-UHFFFAOYSA-N
    • SMILES： FC1C(=CC=CC=1C(CCC(=O)OCC)=O)F

Computed Properties

  • Exact Mass: 242.07500
  • Monoisotopic Mass: 242.07545056g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 6
  • Complexity: 281
  • 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: 1.9
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • PSA: 43.37000
  • LogP: 2.49080

ethyl 4-(2,3-difluorophenyl)-4-oxobutanoate Customs Data

  • HS CODE：2918300090
  • Customs Data：

    China Customs Code:

    2918300090

    Overview:

    2918300090 Other aldehydes or ketones without other oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

ethyl 4-(2,3-difluorophenyl)-4-oxobutanoate Pricemore >>

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