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    BUILDING BLOCK

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    Chemistry

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    Also known as: 26307-50-6, Dtxsid50564102, Dtxcid40514878, 4-bromo-2-isopropylphenol, 4-bromo-2-propan-2-ylphenol, Phenol, 4-bromo-2-(1-methylethyl)-
    Molecular Formula
    C9H11BrO
    Molecular Weight
    215.09  g/mol
    InChI Key
    IRIAFTMIYRJHNZ-UHFFFAOYSA-N
    CAS 26307-50-6
    1 2D Structure

    CAS 26307-50-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-bromo-2-propan-2-ylphenol
    2.1.2 InChI
    InChI=1S/C9H11BrO/c1-6(2)8-5-7(10)3-4-9(8)11/h3-6,11H,1-2H3
    2.1.3 InChI Key
    IRIAFTMIYRJHNZ-UHFFFAOYSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 26307-50-6

    2. Dtxsid50564102

    3. Dtxcid40514878

    4. 4-bromo-2-isopropylphenol

    5. 4-bromo-2-propan-2-ylphenol

    6. Phenol, 4-bromo-2-(1-methylethyl)-

    7. 4-bromo-2-(1-methylethyl)phenol

    8. Mfcd00040203

    9. 4-bromo-2-isopropyl-phenol; 4-bromo-2-isopropylphenol;

    10. 4-bromo-2-isopropyl-phenol

    11. Schembl282835

    12. Iriaftmiyrjhnz-uhfffaoysa-n

    13. Akos005267226

    14. Mb00402

    15. As-39425

    16. Sy123583

    17. Db-367457

    18. Cs-0008502

    19. En300-114349

    20. Z1269143433

    2.3 Create Date
    2007-02-09
    3 Chemical and Physical Properties
    Molecular Weight 215.09 g/mol
    Molecular Formula C9H11BrO
    XLogP33.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area20.2
    Heavy Atom Count11
    Formal Charge0
    Complexity125
    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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