Cas no 898788-67-5 ( )

  structure
  structure
Product Name: 
CAS No:898788-67-5
MF:C16H15FO
MW:242.288108110428
CID:870115
PubChem ID:24726117
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • 3-(3-fluorophenyl)-1-(3-methylphenyl)propan-1-one
    • 3-(3-FLUOROPHENYL)-3'-METHYLPROPIOPHENONE
    • MFCD03843505
    • DTXSID10644510
    • 898788-67-5
    • AKOS016021849
    •  
    • MDL: MFCD03843505
    • Inchi: 1S/C16H15FO/c1-12-4-2-6-14(10-12)16(18)9-8-13-5-3-7-15(17)11-13/h2-7,10-11H,8-9H2,1H3
    • InChI Key: YNIAJPZEFXMTJK-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC(=C1)CCC(C1C=CC=C(C)C=1)=O

Computed Properties

  • Exact Mass: 242.11100
  • Monoisotopic Mass: 242.110693260g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 276
  • 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
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07000
  • LogP: 3.94960

  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%

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