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    Chemistry

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    Also known as: 19999-87-2, Bis(tricyclohexylphosphine)nickel(ii) dichloride, Dichloronickel;tricyclohexylphosphane, Nicl2(pcy3)2, Nickel, dichlorobis(tricyclohexylphosphine)-, Schembl10961446
    Molecular Formula
    C36H66Cl2NiP2
    Molecular Weight
    690.5  g/mol
    InChI Key
    YOCBOYPGZVFUCQ-UHFFFAOYSA-L
    CAS 19999-87-2
    1 2D Structure

    CAS 19999-87-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    dichloronickel;tricyclohexylphosphane
    2.1.2 InChI
    InChI=1S/2C18H33P.2ClH.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*16-18H,1-15H2;2*1H;/q;;;;+2/p-2
    2.1.3 InChI Key
    YOCBOYPGZVFUCQ-UHFFFAOYSA-L
    2.1.4 Canonical SMILES
    C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.Cl[Ni]Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 19999-87-2

    2. Bis(tricyclohexylphosphine)nickel(ii) Dichloride

    3. Dichloronickel;tricyclohexylphosphane

    4. Nicl2(pcy3)2

    5. Nickel, Dichlorobis(tricyclohexylphosphine)-

    6. Schembl10961446

    7. Dtxsid101102993

    8. Mfcd11973802

    9. Akos027250708

    10. Sc10009

    11. Ft-0696280

    12. A879894

    13. J-012932

    14. Bis(tricyclohexylphosphine)nickel(ii) Dichloride, 97%

    15. Bis(tricyclohexylphosphine)nickel(ii) Chloride;bis(tricyclohexylphosphine)nickel(ii) Dichloride;dichlorobis(tricyclohexylphosphine)nickel(ii)

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 690.5 g/mol
    Molecular Formula C36H66Cl2NiP2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count6
    Exact Mass688.337023 g/mol
    Monoisotopic Mass688.337023 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count41
    Formal Charge0
    Complexity204
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
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