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    Technical details about CAS 133051-88-4, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 133051-88-4

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    2D Structure
    Also known as: 133051-88-4, 5-[2-[4-(bromomethyl)phenyl]phenyl]-2-trityltetrazole, 5-[4'-bromomethyl-(1,1'-biphenyl)-2-yl]-2-triphenylmethyltetrazole, 5-[4'-(bromomethyl)-[1,1'-biphenyl]-2-yl]-2-(triphenylmethyl)-2h-tetrazole, 5-[4'-(bromomethyl)biphenyl-2-yl]-2-trityl-2h-tetrazole, 5-[4'-(bromomethyl)-1,1'-biphenyl-2-yl]-2-triphenylmethyl-2h-tetrazole
    Molecular Formula
    C33H25BrN4
    Molecular Weight
    557.5  g/mol
    InChI Key
    WROIFZUSIQAQBZ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-[2-[4-(bromomethyl)phenyl]phenyl]-2-trityltetrazole
    2.1.2 InChI
    InChI=1S/C33H25BrN4/c34-24-25-20-22-26(23-21-25)30-18-10-11-19-31(30)32-35-37-38(36-32)33(27-12-4-1-5-13-27,28-14-6-2-7-15-28)29-16-8-3-9-17-29/h1-23H,24H2
    2.1.3 InChI Key
    WROIFZUSIQAQBZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4N=C(N=N4)C5=CC=CC=C5C6=CC=C(C=C6)CBr
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 133051-88-4

    2. 5-[2-[4-(bromomethyl)phenyl]phenyl]-2-trityltetrazole

    3. 5-[4'-bromomethyl-(1,1'-biphenyl)-2-yl]-2-triphenylmethyltetrazole

    4. 5-[4'-(bromomethyl)-[1,1'-biphenyl]-2-yl]-2-(triphenylmethyl)-2h-tetrazole

    5. 5-[4'-(bromomethyl)biphenyl-2-yl]-2-trityl-2h-tetrazole

    6. 5-[4'-(bromomethyl)-1,1'-biphenyl-2-yl]-2-triphenylmethyl-2h-tetrazole

    7. 5-[4'-(bromomethyl)[1,1'-biphenyl]-2-yl]-2-(triphenylmethyl)-2h-tetrazole

    8. Schembl3875056

    9. Mfcd08274767

    10. Zinc97973146

    11. 2h-tetrazole,5-[4'-(bromomethyl)[1,1'-biphenyl]-2-yl]-2-(triphenylmethyl)-

    12. Akos015911745

    13. As-73162

    14. B5933

    15. 051b884

    16. 2-trityl-5-[4'-(bromomethyl)biphenyl-2-yl]-tetrazole

    17. 4-bromomethyl-[2'-(2-trityl-2h-tetrazol-5-yl)]biphenyl

    18. 4'-bromomethyl-2-(2-triphenylmethyl-tetrazol-5-yl)-biphenyl

    19. 4-bromomethyl-2'-(2-(triphenylmethyl)tetrazol-5-yl)-biphenyl

    20. 5-[2-(4-bromomethylphenyl)phenyl]-2-triphenylmethyl-tetrazole

    21. [4-[2-(3-triphenylmethyl-3h-tetrazol-5-yl)phenyl]phenyl]methylbromide

    22. 5-(4'-bromomethyl-1,1'-biphenyl-2-yl)-2-triphenylmethyl-2h-tetrazole

    23. 5-(4'-bromomethyl-1,1'-biphenyl-2-yl)-2triphenylmethyl-2h-tetrazole

    24. 5-(4-(bromomethyl)-[1,1-biphenyl]-2-yl)-2-trityl-2h-tetrazole

    25. 5-[4-(bromomethyl)-[1,1-biphenyl]-2-yl]-2-(triphenylmethyl)-2h-tetrazole

    26. 5-[4'-(bromomethyl)-[1,1'-biphenyl]-2-yl]-2-(triphenylmethyl)-2h-1,2,3,4-tetrazole

    27. 5-[4 Inverted Exclamation Mark -bromomethyl-(1,1 Inverted Exclamation Mark -biphenyl)-2-yl]-2-triphenylmethyltetrazole

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 557.5 g/mol
    Molecular Formula C33H25BrN4
    XLogP38.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count7
    Exact Mass556.12626 g/mol
    Monoisotopic Mass556.12626 g/mol
    Topological Polar Surface Area43.6 Ų
    Heavy Atom Count38
    Formal Charge0
    Complexity660
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1