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    CAS 92-86-4 

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 92-86-4, 1,1'-biphenyl, 4,4'-dibromo-, P,p'-dibromobiphenyl, 1-bromo-4-(4-bromophenyl)benzene, 4,4'-dibromodiphenyl, 4,4'-dibromo-1,1'-biphenyl
    Molecular Formula
    C12H8Br2
    Molecular Weight
    312.00  g/mol
    InChI Key
    HQJQYILBCQPYBI-UHFFFAOYSA-N
    FDA UNII
    POU26V2XT2
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-bromo-4-(4-bromophenyl)benzene
    2.1.2 InChI
    InChI=1S/C12H8Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
    2.1.3 InChI Key
    HQJQYILBCQPYBI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C2=CC=C(C=C2)Br)Br
    2.2 Other Identifiers
    2.2.1 UNII
    POU26V2XT2
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4,4'-dibromodiphenyl

    2.3.2 Depositor-Supplied Synonyms

    1. 92-86-4

    2. 1,1'-biphenyl, 4,4'-dibromo-

    3. P,p'-dibromobiphenyl

    4. 1-bromo-4-(4-bromophenyl)benzene

    5. 4,4'-dibromodiphenyl

    6. 4,4'-dibromo-1,1'-biphenyl

    7. Nsc-2098

    8. Biphenyl, 4,4'-dibromo-

    9. Pbb 15

    10. 4',4-dibromobiphenyl

    11. 4,4'-dibromo-biphenyl

    12. Chembl8166

    13. Pou26v2xt2

    14. Pbb 15 (4,4'-dibromobiphenyl)

    15. Unii-pou26v2xt2

    16. Nsc2098

    17. Nsc 2098

    18. Einecs 202-198-6

    19. Biphenyl,4'-dibromo-

    20. 4, 4'-dibromobiphenyl

    21. 4,4'-dibromo Biphenyl

    22. Ai3-17378

    23. 1, 4,4'-dibromo-

    24. Schembl68094

    25. Pbb No. 15

    26. 4,4''''-dibromo-biphenyl

    27. 4,4'-dibromobiphenyl, 98%

    28. Dtxsid1059072

    29. Zinc388501

    30. 4,4'-dibromo-1,1'-biphenyl #

    31. Cs-d1359

    32. 1-bromo-4-(4-bromophenyl)-benzene

    33. Bdbm50474729

    34. Cx1325

    35. Mfcd00000101

    36. Stk663245

    37. Akos001094738

    38. Ac-4954

    39. As-11941

    40. Pbb-no. 15 10 Microg/ml In Isooctane

    41. 4,4'-dibromobiphenyl, Analytical Standard

    42. Db-014957

    43. D1695

    44. Ft-0616995

    45. Q-101202

    46. Q27286679

    47. 1,1 Inverted Exclamation Mark -(biphenyl,4,4 Inverted Exclamation Mark -dibromo-

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 312.00 g/mol
    Molecular Formula C12H8Br2
    XLogP35.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count1
    Exact Mass311.89723 g/mol
    Monoisotopic Mass309.89928 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity145
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1