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    Catecholborane

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 3,940Xls

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    2D Structure
    Also known as: Catecholborane, 274-07-7, Benzo[d][1,3,2]dioxaborole, Benzcatechinborane, Catecholatoborane, Pyrocatecholborane
    Molecular Formula
    C6H4BO2
    Molecular Weight
    118.91  g/mol
    InChI Key
    ZDQWVKDDJDIVAL-UHFFFAOYSA-N
    FDA UNII
    UB69382H5J
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 InChI
    InChI=1S/C6H4BO2/c1-2-4-6-5(3-1)8-7-9-6/h1-4H
    2.1.2 InChI Key
    ZDQWVKDDJDIVAL-UHFFFAOYSA-N
    2.1.3 Canonical SMILES
    [B]1OC2=CC=CC=C2O1
    2.2 Other Identifiers
    2.2.1 UNII
    UB69382H5J
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Catecholborane

    2. 274-07-7

    3. Benzo[d][1,3,2]dioxaborole

    4. Benzcatechinborane

    5. Catecholatoborane

    6. Pyrocatecholborane

    7. Benzo[1,3,2]dioxaborole

    8. Cb; Catecholatoborane

    9. Cid 67506

    10. Catecholborane Solution

    11. Mfcd00005846

    12. 1,3,2-benzodioxaborolane

    13. Catechol Borane

    14. 1,3,2$l^{2}-benzodioxaborole

    15. Catecholborane, 98%

    16. 1,3,22-benzodioxaborole

    17. Catecholborane [mi]

    18. Schembl7747

    19. 2h-1,3,2-benzodioxaborole

    20. Dtxsid3059769

    21. Catechol Borane 50% In Toluene

    22. Act09441

    23. Amy14855

    24. Bcp15959

    25. 1,3-dioxa-2-bora(iv)-2h-indene

    26. Catecholborane, 50% W/w In Toluene

    27. Akos015909822

    28. Zinc169743063

    29. Zinc169954692

    30. Catecholborane Solution, 1.0 M In Thf

    31. As-55580

    32. Db-047216

    33. Ft-0606485

    34. A819050

    35. Q730606

    36. J-519721

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 118.91 g/mol
    Molecular Formula C6H4BO2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass119.0304345 g/mol
    Monoisotopic Mass119.0304345 g/mol
    Topological Polar Surface Area18.5 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity95.2
    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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