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    CAS 160982-11-6

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    CAS 160982-11-6
    Also known as: 160982-11-6, 3-(2-bromoacetyl)-5-chloro-2-thiophenesulfonamide, 3-(bromoacetyl)-5-chloro-2-thiophenesulfonamide, 2-thiophenesulfonamide, 3-(2-bromoacetyl)-5-chloro-, 3-(2-bromo-acetyl)-5-chloro-thiophene-2-sulfonic acid amide, 3-(bromoacetyl)-5-chlorothiophene-2-sulfonamide
    Molecular Formula
    C6H5BrClNO3S2
    Molecular Weight
    318.6  g/mol
    InChI Key
    OZESFFKYLOCAOV-UHFFFAOYSA-N
    1 2D Structure

    CAS 160982-11-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(2-bromoacetyl)-5-chlorothiophene-2-sulfonamide
    2.1.2 InChI
    InChI=1S/C6H5BrClNO3S2/c7-2-4(10)3-1-5(8)13-6(3)14(9,11)12/h1H,2H2,(H2,9,11,12)
    2.1.3 InChI Key
    OZESFFKYLOCAOV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(SC(=C1C(=O)CBr)S(=O)(=O)N)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 160982-11-6

    2. 3-(2-bromoacetyl)-5-chloro-2-thiophenesulfonamide

    3. 3-(bromoacetyl)-5-chloro-2-thiophenesulfonamide

    4. 2-thiophenesulfonamide, 3-(2-bromoacetyl)-5-chloro-

    5. 3-(2-bromo-acetyl)-5-chloro-thiophene-2-sulfonic Acid Amide

    6. 3-(bromoacetyl)-5-chlorothiophene-2-sulfonamide

    7. 2-thiophenesulfonamide,3-(2-bromoacetyl)-5-chloro-

    8. Schembl1559488

    9. Dtxsid50430974

    10. Bcp06627

    11. Mfcd09033310

    12. Zinc22002665

    13. Akos015895859

    14. Ab49389

    15. Ac-22718

    16. Bs-16043

    17. Db-064385

    18. Cs-0157327

    19. Ft-0696025

    20. 3-bromoacetyl-5-chloro-2-thiophenesulfonamide

    21. D82428

    22. 982b116

    23. A883154

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 318.6 g/mol
    Molecular Formula C6H5BrClNO3S2
    XLogP31.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass316.85828 g/mol
    Monoisotopic Mass316.85828 g/mol
    Topological Polar Surface Area114 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity329
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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