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    Chemistry

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    Also known as: 1534369-41-9, 870-646-3, 3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol, Mfcd16994234, 2-fluoro-6-hydroxyphenylboronic acid pinacol ester, Schembl21458742
    Molecular Formula
    C12H16BFO3
    Molecular Weight
    238.06  g/mol
    InChI Key
    GXNDNRWVVOKEBG-UHFFFAOYSA-N
    CAS 1534369-41-9
    1 2D Structure

    CAS 1534369-41-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
    2.1.2 InChI
    InChI=1S/C12H16BFO3/c1-11(2)12(3,4)17-13(16-11)10-8(14)6-5-7-9(10)15/h5-7,15H,1-4H3
    2.1.3 InChI Key
    GXNDNRWVVOKEBG-UHFFFAOYSA-N
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. (none)

    2.2.2 Depositor-Supplied Synonyms

    1. 1534369-41-9

    2. 870-646-3

    3. 3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

    4. Mfcd16994234

    5. 2-fluoro-6-hydroxyphenylboronic Acid Pinacol Ester

    6. Schembl21458742

    7. Schembl31483909

    8. At10820

    9. Mb15166

    10. Ps-17784

    11. Sy254113

    12. Db-395017

    13. Cs-0112416

    14. (2-fluoro-6-hydroxyphenyl)boronic Acid Pinacol Ester

    2.3 Create Date
    2013-12-27
    3 Chemical and Physical Properties
    Molecular Weight 238.06 g/mol
    Molecular Formula C12H16BFO3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area38.7
    Heavy Atom Count17
    Formal Charge0
    Complexity279
    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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