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    BUILDING BLOCK

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    Chemistry

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    Also known as: 872509-56-3, Mfcd21648506, 2,6-dichloro-3,5-dimethoxybenzenamine, Benzenamine, 2,6-dichloro-3,5-dimethoxy-, Schembl159064, Amy16775
    Molecular Formula
    C8H9Cl2NO2
    Molecular Weight
    222.07  g/mol
    InChI Key
    LCQFHEIDCMPNAN-UHFFFAOYSA-N
    CAS 872509-56-3
    1 2D Structure

    CAS 872509-56-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,6-dichloro-3,5-dimethoxyaniline
    2.1.2 InChI
    InChI=1S/C8H9Cl2NO2/c1-12-4-3-5(13-2)7(10)8(11)6(4)9/h3H,11H2,1-2H3
    2.1.3 InChI Key
    LCQFHEIDCMPNAN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC(=C(C(=C1Cl)N)Cl)OC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 872509-56-3

    2. Mfcd21648506

    3. 2,6-dichloro-3,5-dimethoxybenzenamine

    4. Benzenamine, 2,6-dichloro-3,5-dimethoxy-

    5. Schembl159064

    6. Amy16775

    7. Bcp20519

    8. Cs-b0775

    9. Xjb50956

    10. 2,6-dichloro-3,5-dimethoxy-anilin

    11. Zinc94568764

    12. 2,6-dichloro-3,5-dimethoxy-aniline

    13. Akos017343640

    14. Ds-7465

    15. Sb23249

    16. 2,6-dichloro-3,5-dimethoxy-phenylamine

    17. Sy105511

    18. A862701

    2.3 Create Date
    2012-08-20
    3 Chemical and Physical Properties
    Molecular Weight 222.07 g/mol
    Molecular Formula C8H9Cl2NO2
    XLogP32.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass221.0010339 g/mol
    Monoisotopic Mass221.0010339 g/mol
    Topological Polar Surface Area44.5 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity154
    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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