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    CAS 1383385-64-5

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    CAS 1383385-64-5
    Also known as: 1383385-64-5, N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide, Schembl10366689, Amy12401, Mfcd22124426
    Molecular Formula
    C18H21BN2O3
    Molecular Weight
    324.2  g/mol
    InChI Key
    BFQWQKOPPQDARN-UHFFFAOYSA-N
    1 2D Structure

    CAS 1383385-64-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
    2.1.2 InChI
    InChI=1S/C18H21BN2O3/c1-17(2)18(3,4)24-19(23-17)14-10-8-13(9-11-14)16(22)21-15-7-5-6-12-20-15/h5-12H,1-4H3,(H,20,21,22)
    2.1.3 InChI Key
    BFQWQKOPPQDARN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)NC3=CC=CC=N3
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1383385-64-5

    2. N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

    3. N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide

    4. Schembl10366689

    5. Amy12401

    6. Mfcd22124426

    7. Zb1409

    8. Zinc204728403

    9. Sb18333

    10. Ac-30656

    11. Bs-15287

    12. Db-109903

    13. Cs-0160418

    2.3 Create Date
    2012-12-01
    3 Chemical and Physical Properties
    Molecular Weight 324.2 g/mol
    Molecular Formula C18H21BN2O3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass324.1645227 g/mol
    Monoisotopic Mass324.1645227 g/mol
    Topological Polar Surface Area60.4 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity445
    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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