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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

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