Cas no 733740-16-4 ( )

  structure
  structure
Product Name: 
CAS No:733740-16-4
MF:C13H13FO3
MW:236.238927602768
MDL:MFCD01311188
CID:868430
PubChem ID:24722325
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • (1R,2S)-2-(4-fluorobenzoyl)cyclopentane-1-carboxylic acid
    • cis-2-(4-Fluorobenzoyl)cyclopentane-1-carboxylic acid
    • DTXSID40641315
    • MFCD01311188
    • 733740-16-4
    • CIS-2-(4-FLUOROBENZOYL)CYCLOPENTANE-1-CARBOXYLICACID
    • AKOS016017561
    •  
    • MDL: MFCD01311188
    • Inchi: 1S/C13H13FO3/c14-9-6-4-8(5-7-9)12(15)10-2-1-3-11(10)13(16)17/h4-7,10-11H,1-3H2,(H,16,17)/t10-,11+/m0/s1
    • InChI Key: NHQQJKKAHSUBRB-WDEREUQCSA-N
    • SMILES: FC1C=CC(=CC=1)C([C@H]1CCC[C@H]1C(=O)O)=O

Computed Properties

  • Exact Mass: 236.08500
  • Monoisotopic Mass: 236.08487243g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 308
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 54.4?2

Experimental Properties

  • PSA: 54.37000
  • LogP: 2.50930

  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%

  Pricemore >>

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