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    CAS 61676-62-8

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    CAS 61676-62-8
    Also known as: 61676-62-8, Isopropoxyboronic acid pinacol ester, Isopropoxyboronic acid, pinacol ester, 4,4,5,5-tetramethyl-2-(propan-2-yloxy)-1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane, 2-isopropoxy-4,4,5,5-dimethyl-1,3,2-dioxaborolane
    Molecular Formula
    C9H19BO3
    Molecular Weight
    186.06  g/mol
    InChI Key
    MRWWWZLJWNIEEJ-UHFFFAOYSA-N
    1 2D Structure

    CAS 61676-62-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
    2.1.2 InChI
    InChI=1S/C9H19BO3/c1-7(2)11-10-12-8(3,4)9(5,6)13-10/h7H,1-6H3
    2.1.3 InChI Key
    MRWWWZLJWNIEEJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    B1(OC(C(O1)(C)C)(C)C)OC(C)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 61676-62-8

    2. Isopropoxyboronic Acid Pinacol Ester

    3. Isopropoxyboronic Acid, Pinacol Ester

    4. 4,4,5,5-tetramethyl-2-(propan-2-yloxy)-1,3,2-dioxaborolane

    5. 4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane

    6. 2-isopropoxy-4,4,5,5-dimethyl-1,3,2-dioxaborolane

    7. Mfcd00192241

    8. 2-isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxa-borolane

    9. 1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-(1-methylethoxy)-

    10. 2-iso-propoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

    11. 2-isopropoxy-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane

    12. C9h19bo3

    13. Pinbop

    14. Schembl9839

    15. Dtxsid20407552

    16. Act08948

    17. Bcp12838

    18. Cs-d0245

    19. Str09262

    20. Akos004116363

    21. Ab04651

    22. Am20100506

    23. Ft-0612702

    24. I0658

    25. En300-123725

    26. Isopropyl Dihydrogen Borate Pinacol Ester

    27. A833359

    28. J-521562

    29. 2-isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborole

    30. Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

    31. 2-isopropoxy-4,4,5,5-tetramethyl[1,3,2]-dioxaborolane

    32. 2-isopropoxy-4,4,5,5-tetramethyl[1,3,2]dioxaborolane

    33. 2-iso-propoxy-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane

    34. 2-isopropoxy-4,4,5,5-tetramethyl-[1,3,2]-dioxaborolane

    35. 2-isopropyloxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

    36. 2-isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 98%

    37. 2-isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane(isopropoxyboronic Acid Pinacol Ester

    38. 2-methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane(methoxyboronic Acid Pinacol Ester)

    2.3 Create Date
    2005-09-18
    3 Chemical and Physical Properties
    Molecular Weight 186.06 g/mol
    Molecular Formula C9H19BO3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area27.7
    Heavy Atom Count13
    Formal Charge0
    Complexity173
    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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