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    BUILDING BLOCK

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    Chemistry

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    Also known as: 53207-00-4, 1-bromo-2-(bromomethyl)-4,5-dimethoxybenzene, 1-bromo-2-bromomethyl-4,5-dimethoxy-benzene, Benzene, 1-bromo-2-(bromomethyl)-4,5-dimethoxy-, Schembl2294326, Dtxsid10452773
    Molecular Formula
    C9H10Br2O2
    Molecular Weight
    309.98  g/mol
    InChI Key
    PAJNRELOTRXFAQ-UHFFFAOYSA-N
    CAS 53207-00-4
    1 2D Structure

    CAS 53207-00-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-bromo-2-(bromomethyl)-4,5-dimethoxybenzene
    2.1.2 InChI
    InChI=1S/C9H10Br2O2/c1-12-8-3-6(5-10)7(11)4-9(8)13-2/h3-4H,5H2,1-2H3
    2.1.3 InChI Key
    PAJNRELOTRXFAQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=C(C(=C1)CBr)Br)OC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 53207-00-4

    2. 1-bromo-2-(bromomethyl)-4,5-dimethoxybenzene

    3. 1-bromo-2-bromomethyl-4,5-dimethoxy-benzene

    4. Benzene, 1-bromo-2-(bromomethyl)-4,5-dimethoxy-

    5. Schembl2294326

    6. Dtxsid10452773

    7. Mfcd02727713

    8. Zinc16697062

    9. Akos010149124

    10. As-18930

    11. Db-071644

    12. 1-bromo-2-bromomethyl-4,5-dimethoxybenzene

    13. Cs-0199525

    14. Ft-0658658

    15. 1-bromanyl-2-(bromomethyl)-4,5-dimethoxy-benzene

    16. A829443

    17. 1-bromo-2-(bromomethyl)-4,5-dimethoxybenzene, Aldrichcpr

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 309.98 g/mol
    Molecular Formula C9H10Br2O2
    XLogP33.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass309.90271 g/mol
    Monoisotopic Mass307.90475 g/mol
    Topological Polar Surface Area18.5 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity155
    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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