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    BUILDING BLOCK

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    Chemistry

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    Also known as: 150192-39-5, 2-bromo-5-methoxybenzyl alcohol, 2-bromo-5-methoxybenzylalcohol, Benzenemethanol, 2-bromo-5-methoxy-, Mfcd03695463, 5-methoxy-2-bromobenzyl alcohol
    Molecular Formula
    C8H9BrO2
    Molecular Weight
    217.06  g/mol
    InChI Key
    NRDAKNCVXNJCGB-UHFFFAOYSA-N
    CAS 150192-39-5
    1 2D Structure

    CAS 150192-39-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2-bromo-5-methoxyphenyl)methanol
    2.1.2 InChI
    InChI=1S/C8H9BrO2/c1-11-7-2-3-8(9)6(4-7)5-10/h2-4,10H,5H2,1H3
    2.1.3 InChI Key
    NRDAKNCVXNJCGB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC(=C(C=C1)Br)CO
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 150192-39-5

    2. 2-bromo-5-methoxybenzyl Alcohol

    3. 2-bromo-5-methoxybenzylalcohol

    4. Benzenemethanol, 2-bromo-5-methoxy-

    5. Mfcd03695463

    6. 5-methoxy-2-bromobenzyl Alcohol

    7. (2-bromo-5-methoxy-phenyl)methanol

    8. Schembl594784

    9. Dtxsid40446463

    10. Zinc2509472

    11. (2-bromo-5-methoxy-phenyl)-methanol

    12. Akos009358159

    13. Am86627

    14. As-62126

    15. Sy017794

    16. Cs-0147116

    17. Ft-0697725

    18. A852291

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 217.06 g/mol
    Molecular Formula C8H9BrO2
    XLogP31.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass215.97859 g/mol
    Monoisotopic Mass215.97859 g/mol
    Topological Polar Surface Area29.5 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity119
    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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