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    BUILDING BLOCK

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    Chemistry

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    Also known as: 215527-70-1, (2,3,4,5,6-pentadeuteriophenyl)boronic acid, Mfcd02093711, Phenyl-d5-boronicacid, (phenyl-d5)boronicacid, (phenyl-d5)boronic acid
    Molecular Formula
    C6H7BO2
    Molecular Weight
    126.96  g/mol
    InChI Key
    HXITXNWTGFUOAU-RALIUCGRSA-N
    CAS 215527-70-1
    1 2D Structure

    CAS 215527-70-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2,3,4,5,6-pentadeuteriophenyl)boronic acid
    2.1.2 InChI
    InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H/i1D,2D,3D,4D,5D
    2.1.3 InChI Key
    HXITXNWTGFUOAU-RALIUCGRSA-N
    2.1.4 Canonical SMILES
    B(C1=CC=CC=C1)(O)O
    2.1.5 Isomeric SMILES
    [2H]C1=C(C(=C(C(=C1[2H])[2H])B(O)O)[2H])[2H]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 215527-70-1

    2. (2,3,4,5,6-pentadeuteriophenyl)boronic Acid

    3. Mfcd02093711

    4. Phenyl-d5-boronicacid

    5. (phenyl-d5)boronicacid

    6. (phenyl-d5)boronic Acid

    7. Amy003

    8. Schembl1872827

    9. (~2~h_5_)phenylboronic Acid

    10. Dtxsid20584110

    11. Hxitxnwtgfuoau-raliucgrsa-n

    12. Zb0610

    13. Akos015943422

    14. As-57707

    15. [(2,3,4,5,6-(2)h?)phenyl]boronic Acid

    16. A858067

    17. Phenyl-d5-boronic Acid, 98 Atom % D, 98% (cp)

    2.3 Create Date
    2007-07-12
    3 Chemical and Physical Properties
    Molecular Weight 126.96 g/mol
    Molecular Formula C6H7BO2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area40.5
    Heavy Atom Count9
    Formal Charge0
    Complexity79.1
    Isotope Atom Count5
    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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