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    CAS 112246-73-8

    PharmaCompass
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    2D Structure
    Also known as: 112246-73-8, (+)-dip chloride, (+)-b-chlorodiisopinocampheylborane, (+)-beta-chlorodiisopinocamphenylborane, (+)-dip-chloride, Mfcd00074808
    Molecular Formula
    C20H34BCl
    Molecular Weight
    320.7  g/mol
    InChI Key
    PSEHHVRCDVOTID-YYNWCRCSSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    chloro-bis[(1R,2R,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane
    2.1.2 InChI
    InChI=1S/C20H34BCl/c1-11-15-7-13(19(15,3)4)9-17(11)21(22)18-10-14-8-16(12(18)2)20(14,5)6/h11-18H,7-10H2,1-6H3/t11-,12-,13-,14-,15+,16+,17-,18-/m0/s1
    2.1.3 InChI Key
    PSEHHVRCDVOTID-YYNWCRCSSA-N
    2.1.4 Canonical SMILES
    B(C1CC2CC(C1C)C2(C)C)(C3CC4CC(C3C)C4(C)C)Cl
    2.1.5 Isomeric SMILES
    B([C@H]1C[C@@H]2C[C@H]([C@@H]1C)C2(C)C)([C@H]3C[C@@H]4C[C@H]([C@@H]3C)C4(C)C)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 112246-73-8

    2. (+)-dip Chloride

    3. (+)-b-chlorodiisopinocampheylborane

    4. (+)-beta-chlorodiisopinocamphenylborane

    5. (+)-dip-chloride

    6. Mfcd00074808

    7. (+)-b-chlorodiisopinocamphenylborane

    8. (+)dip-chloride

    9. (+) Dip-chloride

    10. (+)-diisopinocampheyl Chloroborane, 60%-65% In Hexanes

    11. Chlorobis(2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl)borane

    12. (+)-b-chlorodiisopinocampheylborane (58% In Hexane, Ca. 1.6mol/l)

    13. (+)-dpc

    14. Dtxsid70920706

    15. (+)-a-chlorodiisopinocamphenylborane

    16. Akos037644151

    17. Zinc196916033

    18. As-47257

    19. Bp-10075

    20. 246d738

    21. A802521

    22. (+)-diisopinocamphelchloroborane 60-65% In Hexanes

    23. Q-101079

    24. Chloranyl-bis[(1r,3s,4r,5r)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane

    25. Chloro-bis[(1r,3s,4r,5r)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 320.7 g/mol
    Molecular Formula C20H34BCl
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count2
    Exact Mass320.2442089 g/mol
    Monoisotopic Mass320.2442089 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity428
    Isotope Atom Count0
    Defined Atom Stereocenter Count8
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1