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    CAS 146533-41-7

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    CAS 146533-41-7
    Also known as: 146533-41-7, Pyrimidine, 5-(4-bromophenyl)-4,6-dichloro-, 4,6-dichloro-5-(4-bromophenyl)pyrimidine, Mfcd13151897, 5-(4-bromophenyl)-4,6-dichloro-pyrimidine, Schembl999683
    Molecular Formula
    C10H5BrCl2N2
    Molecular Weight
    303.97  g/mol
    InChI Key
    WEEFLZORZXLIJE-UHFFFAOYSA-N
    1 2D Structure

    CAS 146533-41-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-(4-bromophenyl)-4,6-dichloropyrimidine
    2.1.2 InChI
    InChI=1S/C10H5BrCl2N2/c11-7-3-1-6(2-4-7)8-9(12)14-5-15-10(8)13/h1-5H
    2.1.3 InChI Key
    WEEFLZORZXLIJE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C2=C(N=CN=C2Cl)Cl)Br
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 146533-41-7

    2. Pyrimidine, 5-(4-bromophenyl)-4,6-dichloro-

    3. 4,6-dichloro-5-(4-bromophenyl)pyrimidine

    4. Mfcd13151897

    5. 5-(4-bromophenyl)-4,6-dichloro-pyrimidine

    6. Schembl999683

    7. Amy3331

    8. Dtxsid80599422

    9. Pyrimidine Pound Not 5-(4-bromophenyl)-4 Pound Not6-dichloro

    10. Bcp07689

    11. Cs-m1491

    12. Wfa53341

    13. Zinc71257411

    14. Akos017560636

    15. Sb14842

    16. Ac-29730

    17. As-10209

    18. Sy115961

    19. 4,6-dichloro-5-(4-bromophenyl)-pyrimidine

    20. Ft-0699560

    21. Pyrimidine,5-(4-bromophenyl)-4,6-dichloro-

    22. A855946

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 303.97 g/mol
    Molecular Formula C10H5BrCl2N2
    XLogP34.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass301.90132 g/mol
    Monoisotopic Mass301.90132 g/mol
    Topological Polar Surface Area25.8 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity200
    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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