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    CAS 701-27-9

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 701-27-9, M-fluorobenzenesulfonyl chloride, 3-fluorobenzene-1-sulfonyl chloride, 3-fluorobenzenesulphonyl chloride, 3-fluoro-benzenesulfonyl chloride, 3-fluorobenzenesulfonylchloride
    Molecular Formula
    C6H4ClFO2S
    Molecular Weight
    194.61  g/mol
    InChI Key
    OKYSUJVCDXZGKE-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-fluorobenzenesulfonyl chloride
    2.1.2 InChI
    InChI=1S/C6H4ClFO2S/c7-11(9,10)6-3-1-2-5(8)4-6/h1-4H
    2.1.3 InChI Key
    OKYSUJVCDXZGKE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC(=C1)S(=O)(=O)Cl)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 701-27-9

    2. M-fluorobenzenesulfonyl Chloride

    3. 3-fluorobenzene-1-sulfonyl Chloride

    4. 3-fluorobenzenesulphonyl Chloride

    5. 3-fluoro-benzenesulfonyl Chloride

    6. 3-fluorobenzenesulfonylchloride

    7. 3-fluorophenylsulfonyl Chloride

    8. Mfcd00042286

    9. Benzenesulfonyl Chloride, 3-fluoro-

    10. Schembl67448

    11. 3-fluorobenzensulfonylchloride

    12. M-fluorobenzenesulfonylchloride

    13. 3-fluorobenzensulfonyl Chloride

    14. 3-flourobenzenesulfonyl Chloride

    15. M-fluoro-phenylsulfonyl Chloride

    16. 3-fluoro-benzensulfonyl Chloride

    17. 3-fluorophenyl Sulfonyl Chloride

    18. 3-fluorophenyl-sulfonyl Chloride

    19. 3-dluorobenzenesulphonyl Chloride

    20. 3-fluoro Benzenesulfonyl Chloride

    21. Dtxsid00370179

    22. 3-fluoro-benzene-sulfonyl Chloride

    23. Bbl010572

    24. Stk500497

    25. Akos000120151

    26. 3-fluorobenzenesulfonyl Chloride, 97%

    27. Am62501

    28. Cs-w004109

    29. Ps-10913

    30. A9263

    31. F0790

    32. En300-17432

    33. J-512544

    34. F2167-0011

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 194.61 g/mol
    Molecular Formula C6H4ClFO2S
    XLogP32
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area42.5
    Heavy Atom Count11
    Formal Charge0
    Complexity221
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1