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    BUILDING BLOCK

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    Chemistry

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    Also known as: 86357-59-7, Nsc57821, C11h15cl2no3s, Schembl3615482, Dtxsid001006762, Zinc332631
    Molecular Formula
    C11H15Cl2NO3S
    Molecular Weight
    312.2  g/mol
    InChI Key
    HUVWULNCGBXDRQ-UHFFFAOYSA-N
    CAS 86357-59-7
    1 2D Structure

    CAS 86357-59-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N,N-bis(2-chloroethyl)-4-methoxybenzenesulfonamide
    2.1.2 InChI
    InChI=1S/C11H15Cl2NO3S/c1-17-10-2-4-11(5-3-10)18(15,16)14(8-6-12)9-7-13/h2-5H,6-9H2,1H3
    2.1.3 InChI Key
    HUVWULNCGBXDRQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC=C(C=C1)S(=O)(=O)N(CCCl)CCCl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 86357-59-7

    2. Nsc57821

    3. C11h15cl2no3s

    4. Schembl3615482

    5. Dtxsid001006762

    6. Zinc332631

    7. Nsc-57821

    8. Stk832912

    9. Akos000506718

    10. Cs-0362415

    11. Ag-690/07721001

    12. Sr-01000312283

    13. Sr-01000312283-1

    14. N,n-bis(2-chloroethyl)-4-methoxybenzene-1-sulfonamide

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 312.2 g/mol
    Molecular Formula C11H15Cl2NO3S
    XLogP32.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count7
    Exact Mass311.0149699 g/mol
    Monoisotopic Mass311.0149699 g/mol
    Topological Polar Surface Area55 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity318
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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