Cas no 898780-82-0 (3-(3,5-dimethylphenyl)-1-(2-fluorophenyl)propan-1-one)

3-(3,5-dimethylphenyl)-1-(2-fluorophenyl)propan-1-one structure
898780-82-0 structure
Product Name:3-(3,5-dimethylphenyl)-1-(2-fluorophenyl)propan-1-one
CAS No:898780-82-0
MF:C17H17FO
MW:256.314688444138
CID:879669
PubChem ID:24726513
Update Time:2025-04-19

3-(3,5-dimethylphenyl)-1-(2-fluorophenyl)propan-1-one Chemical and Physical Properties

Names and Identifiers

    • 3-(3,5-dimethylphenyl)-1-(2-fluorophenyl)propan-1-one
    • 3-(3,5-DIMETHYLPHENYL)-2'-FLUOROPROPIOPHENONE
    • DTXSID80644906
    • 898780-82-0
    • MFCD03843898
    • AKOS016022273
    • MDL： MFCD03843898
    • Inchi： 1S/C17H17FO/c1-12-9-13(2)11-14(10-12)7-8-17(19)15-5-3-4-6-16(15)18/h3-6,9-11H,7-8H2,1-2H3
    • InChI Key： FVBNTGNICIEMQO-UHFFFAOYSA-N
    • SMILES： FC1C=CC=CC=1C(CCC1C=C(C)C=C(C)C=1)=O

Computed Properties

  • Exact Mass: 256.12600
  • Monoisotopic Mass: 256.126343324g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 292
  • 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: 4.3
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07000
  • LogP: 4.25800

3-(3,5-dimethylphenyl)-1-(2-fluorophenyl)propan-1-one Customs Data

  • HS CODE：2914700090
  • Customs Data：

    China Customs Code:

    2914700090

    Overview:

    2914700090 Halogenation of other ketones and quinones\Sulfonated derivative(Including nitrated and nitrosative derivatives). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

3-(3,5-dimethylphenyl)-1-(2-fluorophenyl)propan-1-one Pricemore >>

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