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    CAS 56433-01-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 56433-01-3, 6-chloro-2-nitrobenzyl bromide, 2-chloro-6-nitrobenzyl bromide, Einecs 260-179-8, 6-chloro-2-nitrobenzylbromide, Benzene, 2-(bromomethyl)-1-chloro-3-nitro-
    Molecular Formula
    C7H5BrClNO2
    Molecular Weight
    250.48  g/mol
    InChI Key
    MAIVNONTLACJOK-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(bromomethyl)-1-chloro-3-nitrobenzene
    2.1.2 InChI
    InChI=1S/C7H5BrClNO2/c8-4-5-6(9)2-1-3-7(5)10(11)12/h1-3H,4H2
    2.1.3 InChI Key
    MAIVNONTLACJOK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C(=C1)Cl)CBr)[N+](=O)[O-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 56433-01-3

    2. 6-chloro-2-nitrobenzyl Bromide

    3. 2-chloro-6-nitrobenzyl Bromide

    4. Einecs 260-179-8

    5. 6-chloro-2-nitrobenzylbromide

    6. Benzene, 2-(bromomethyl)-1-chloro-3-nitro-

    7. Schembl844236

    8. Niosh/cy9039000

    9. Dtxsid80204988

    10. Albb-031718

    11. Zinc6091668

    12. Alpha-bromo-2-chloro-6-nitrotoluene

    13. Benzyl Bromide, 2-chloro-6-nitro-

    14. Mfcd00055408

    15. Stl182766

    16. Tl 351

    17. Akos000369893

    18. Toluene, Alpha-bromo-2-chloro-6-nitro-

    19. Ac-23851

    20. As-39158

    21. Am20080599

    22. Cy90390000

    23. Ft-0757431

    24. 2-(bromomethyl)-1-chloranyl-3-nitro-benzene

    25. Benzene, 1-(bromomethyl)-2-chloro-6-nitro-

    26. 433b013

    27. A831046

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 250.48 g/mol
    Molecular Formula C7H5BrClNO2
    XLogP33.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass248.91922 g/mol
    Monoisotopic Mass248.91922 g/mol
    Topological Polar Surface Area45.8 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity173
    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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