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    Technical details about CAS 22385-77-9, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 22385-77-9

    Manufacturers/Suppliers

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 22385-77-9, 3,5-di-tert-butylbromobenzene, 1-bromo-3,5-di-t-butylbenzene, 3,5-di-t-butylbromobenzene, 1-bromo-3,5-ditert-butylbenzene, Benzene, 1-bromo-3,5-bis(1,1-dimethylethyl)-
    Molecular Formula
    C14H21Br
    Molecular Weight
    269.22  g/mol
    InChI Key
    BUOWTUULDKULFI-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-bromo-3,5-ditert-butylbenzene
    2.1.2 InChI
    InChI=1S/C14H21Br/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9H,1-6H3
    2.1.3 InChI Key
    BUOWTUULDKULFI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)C1=CC(=CC(=C1)Br)C(C)(C)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 22385-77-9

    2. 3,5-di-tert-butylbromobenzene

    3. 1-bromo-3,5-di-t-butylbenzene

    4. 3,5-di-t-butylbromobenzene

    5. 1-bromo-3,5-ditert-butylbenzene

    6. Benzene, 1-bromo-3,5-bis(1,1-dimethylethyl)-

    7. Mfcd00796945

    8. 1-bromo-3,5-(ditert-butyl)benzene

    9. 3,5-di-t-butyl-bromobenzene

    10. Bromo-3,5-di-t-butylbenzene

    11. Schembl190968

    12. Bromo-3,5-di-tert-butylbenzene

    13. 1-bromo-3.5-di-t-butylbenzene

    14. 1-bromo-3,5-di-tertbutylbenzene

    15. 1-bromo-3.5-di-tertbutylbenzene

    16. 3,5-di-tert-butylphenyl Bromide

    17. Dtxsid00347326

    18. 1-bromo-3,5-di-t-butyl Benzene

    19. 1-bromo-3,5-di-tert-butybenzene

    20. Act09691

    21. Zinc2569459

    22. 1-bromo-3,5-ditert-butylbenzene #

    23. Cl8620

    24. 1,3-bis(tert-butyl)-5-bromobenzene

    25. Akos005258930

    26. Cs-w012400

    27. Ac-23642

    28. As-15532

    29. Sy014472

    30. Sy292051

    31. 1-bromo-3,5-di-tert-butylbenzene, 97%

    32. Db-011124

    33. A4810

    34. Am20030382

    35. B3547

    36. Ft-0607476

    37. 385b779

    38. J-511376

    39. Q63392199

    40. 1-bromo-3,5-di-tert-butylbenzene;3,5-di-tert-butylbromobenzene

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 269.22 g/mol
    Molecular Formula C14H21Br
    XLogP36
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count2
    Exact Mass268.08266 g/mol
    Monoisotopic Mass268.08266 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity184
    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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