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    CAS 1231930-33-8

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    CAS 1231930-33-8
    Also known as: 1231930-33-8, 6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole, 6-bromo-4-fluoro-2-methyl-1-(propan-2-yl)-1h-1,3-benzodiazole, 6-bromo-4-fluoro-1-isopropyl-2-methylbenzimidazole, Mfcd16660227, 6-bromo-4-fluoro-1-isopropyl-2-methyl-1h-benzoimidazole
    Molecular Formula
    C11H12BrFN2
    Molecular Weight
    271.13  g/mol
    InChI Key
    SJQZRZLUEGCXFN-UHFFFAOYSA-N
    1 2D Structure

    CAS 1231930-33-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole
    2.1.2 InChI
    InChI=1S/C11H12BrFN2/c1-6(2)15-7(3)14-11-9(13)4-8(12)5-10(11)15/h4-6H,1-3H3
    2.1.3 InChI Key
    SJQZRZLUEGCXFN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=NC2=C(N1C(C)C)C=C(C=C2F)Br
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1231930-33-8

    2. 6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole

    3. 6-bromo-4-fluoro-2-methyl-1-(propan-2-yl)-1h-1,3-benzodiazole

    4. 6-bromo-4-fluoro-1-isopropyl-2-methylbenzimidazole

    5. Mfcd16660227

    6. 6-bromo-4-fluoro-1-isopropyl-2-methyl-1h-benzoimidazole

    7. Schembl2490112

    8. Amy3372

    9. Dtxsid90719275

    10. Bcp14302

    11. Cs-m2089

    12. Zinc72482083

    13. Akos015920206

    14. Sb15065

    15. Ac-30667

    16. As-19510

    17. Sy110852

    18. Db-107989

    19. A1-04248

    20. 6-bromo-4-fluoro-2-methyl-1-(propan-2-yl)-1h-benzimidazole

    21. 1h-benzimidazole, 6-bromo-4-fluoro-2-methyl-1-(1-methylethyl)-

    22. 1h-benzimidazole,6-bromo-4-fluoro-2-methyl-1-(1-methylethyl)-

    2.3 Create Date
    2012-05-30
    3 Chemical and Physical Properties
    Molecular Weight 271.13 g/mol
    Molecular Formula C11H12BrFN2
    XLogP33.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass270.01679 g/mol
    Monoisotopic Mass270.01679 g/mol
    Topological Polar Surface Area17.8 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity237
    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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