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    CAS 56961-77-4

    PharmaCompass
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    2D Structure
    Also known as: 56961-77-4, 2,3-dichlorobromobenzene, Benzene, 1-bromo-2,3-dichloro-, Benzene, bromodichloro-, Mfcd00000536, 2,3-dichloro-1-bromobenzene
    Molecular Formula
    C6H3BrCl2
    Molecular Weight
    225.89  g/mol
    InChI Key
    HVKCZUVMQPUWSX-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-bromo-2,3-dichlorobenzene
    2.1.2 InChI
    InChI=1S/C6H3BrCl2/c7-4-2-1-3-5(8)6(4)9/h1-3H
    2.1.3 InChI Key
    HVKCZUVMQPUWSX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C(=C1)Br)Cl)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 56961-77-4

    2. 2,3-dichlorobromobenzene

    3. Benzene, 1-bromo-2,3-dichloro-

    4. Benzene, Bromodichloro-

    5. Mfcd00000536

    6. 2,3-dichloro-1-bromobenzene

    7. Einecs 260-476-2

    8. 1-bromo-2,3-dichloro-benzene

    9. Bromodichlorobenzene

    10. Monobromodichlorobenzene

    11. 2,3-dichlorophenyl Bromide

    12. Schembl221096

    13. Dtxsid00205533

    14. Zinc409251

    15. Act12687

    16. 1-bromo-2,3-dichlorobenzene, 98%

    17. Akos000121083

    18. Am61593

    19. Cs-w010435

    20. Ac-26066

    21. Ps-10244

    22. Sy040751

    23. A4391

    24. B0980

    25. Ft-0609563

    26. F14845

    27. 961b774

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 225.89 g/mol
    Molecular Formula C6H3BrCl2
    XLogP34.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count0
    Exact Mass223.87952 g/mol
    Monoisotopic Mass223.87952 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity97.1
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1