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    Chemistry

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    Also known as: 1,2,4-tribromo-5-methylbenzene, 3278-88-4, Benzene, 1,2,4-tribromo-5-methyl-, 2,4,5-tribrom-toluol, Schembl11045804, Dtxsid30186447
    Molecular Formula
    C7H5Br3
    Molecular Weight
    328.83  g/mol
    InChI Key
    KZZJNNUPNNBCCH-UHFFFAOYSA-N
    CAS 3278-88-4
    1 2D Structure

    CAS 3278-88-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,2,4-tribromo-5-methylbenzene
    2.1.2 InChI
    InChI=1S/C7H5Br3/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,1H3
    2.1.3 InChI Key
    KZZJNNUPNNBCCH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=C(C=C1Br)Br)Br
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1,2,4-tribromo-5-methylbenzene

    2. 3278-88-4

    3. Benzene, 1,2,4-tribromo-5-methyl-

    4. 2,4,5-tribrom-toluol

    5. Schembl11045804

    6. Dtxsid30186447

    7. Zinc167106

    8. Amy31924

    9. 2,4,5-tribromotoluene, Aldrichcpr

    10. Bbl100458

    11. Ck1101

    12. Mfcd00052984

    13. Stl554252

    14. Akos005254423

    15. Ds-17909

    16. Db-019803

    17. Cs-0153311

    18. Ft-0606248

    19. A821415

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 328.83 g/mol
    Molecular Formula C7H5Br3
    XLogP34.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count0
    Exact Mass327.79209 g/mol
    Monoisotopic Mass325.79414 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity115
    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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