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    269409-70-3

    PharmaCompass
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    2D Structure
    Also known as: 269409-70-3, 4-hydroxyphenylboronic acid pinacol ester, 4-hydroxyphenylboronic acid, pinacol ester, Mfcd02093756, 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenol, 4-hydroxyphenylboronic acid pinacol cyclic ester
    Molecular Formula
    C12H17BO3
    Molecular Weight
    220.07  g/mol
    InChI Key
    BICZJRAGTCRORZ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
    2.1.2 InChI
    InChI=1S/C12H17BO3/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5-8,14H,1-4H3
    2.1.3 InChI Key
    BICZJRAGTCRORZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 269409-70-3

    2. 4-hydroxyphenylboronic Acid Pinacol Ester

    3. 4-hydroxyphenylboronic Acid, Pinacol Ester

    4. Mfcd02093756

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

    6. 4-hydroxyphenylboronic Acid Pinacol Cyclic Ester

    7. 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-phenol

    8. 2-(4-hydroxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

    9. Phenol, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

    10. (4-hydroxyphenyl)boronic Acid Pinacol Ester

    11. Schembl102562

    12. 4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)phenol

    13. Dtxsid70370404

    14. 3-hydroxy-2,3-dimethylbutan-2-yl Hydrogen 4-hydroxyphenylboronate

    15. Inverted Exclamation Marky97%(gc)

    16. Akos015915429

    17. Ab10835

    18. As-2606

    19. Cs-w002879

    20. Hy-w002879

    21. Pb42436

    22. Sy020873

    23. 4-hydroxybenzene Boronic Acid Pinacol Ester

    24. 4-hydroxybenzeneboronic Acid, Pinacol Ester

    25. Am20060974

    26. T1954

    27. 4-hydroxyphenylboronic Acid Pinacol Ester, 97%

    28. En300-316486

    29. A818720

    30. J-016615

    31. Z1741960628

    32. 4-(4,4,5,5,-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

    33. 4-(4,4,5,5-tetramethyl 1,3,2-dioxaborolan-2-yl-)phenol

    34. 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenol

    35. 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) Phenol

    36. 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2yl)phenol

    37. 4-(4,4,5,5-tetramethyl-1,3,2-dioxoborolan-2-yl)phenol

    38. 4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)-phenol

    39. 4-[4,4,5,5tetramethyl-1,3,2-dioxaborolan-2-yl]-phenol

    40. 4-(4,4,5,5-tetramethyl 1,3,2-dioxaborolan-2-yl-) Phenol

    41. 4-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)-phenol

    42. 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenol

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 220.07 g/mol
    Molecular Formula C12H17BO3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area38.7
    Heavy Atom Count16
    Formal Charge0
    Complexity241
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1