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    4'-Benzyloxy-2-Bromopropiophenone

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 35081-45-9, 2-bromo-4'-benzyloxypropiophenone, 4'-(benzyloxy)-2-bromopropiophenone, 1-(4-(benzyloxy)phenyl)-2-bromopropan-1-one, 1-propanone, 2-bromo-1-[4-(phenylmethoxy)phenyl]-, 1-[4-(benzyloxy)phenyl]-2-bromopropan-1-one
    Molecular Formula
    C16H15BrO2
    Molecular Weight
    319.19  g/mol
    InChI Key
    LSQLSCUJBXFBRB-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-bromo-1-(4-phenylmethoxyphenyl)propan-1-one
    2.1.2 InChI
    InChI=1S/C16H15BrO2/c1-12(17)16(18)14-7-9-15(10-8-14)19-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
    2.1.3 InChI Key
    LSQLSCUJBXFBRB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2)Br
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 35081-45-9

    2. 2-bromo-4'-benzyloxypropiophenone

    3. 4'-(benzyloxy)-2-bromopropiophenone

    4. 1-(4-(benzyloxy)phenyl)-2-bromopropan-1-one

    5. 1-propanone, 2-bromo-1-[4-(phenylmethoxy)phenyl]-

    6. 1-[4-(benzyloxy)phenyl]-2-bromopropan-1-one

    7. 2-bromo-1-(4-phenylmethoxyphenyl)propan-1-one

    8. 1-(4-benzyloxy-phenyl)-2-bromo-propan-1-one

    9. 1-[4-(benzyloxy)phenyl]-2-bromo-1-propanone

    10. 4-(benzyloxy)-2-bromopropiophenone

    11. Einecs 252-351-6

    12. Nsc321048

    13. 1-(4-benzyloxyphenyl)-2-bromopropan-1-one

    14. 1-(4-benzyloxyphenyl)-2-bromo-propan-1-one

    15. Schembl103047

    16. 1-propanone,2-bromo-1-[4-(phenylmethoxy)phenyl]-

    17. 4'-benzoxy-2-bromopropiophenone

    18. Am931

    19. Dtxsid701245048

    20. 4'-benzyloxy-2-bromo-propiophenone

    21. Albb-010646

    22. Bcp30672

    23. Mfcd00017862

    24. 4'-benzyloxy-alpha-bromopropiophenone

    25. 4'-(benzyloxy)-2-bromo Propiophenone

    26. Akos005172575

    27. Ab92068

    28. Nsc 321048

    29. Nsc-321048

    30. As-15661

    31. Db-048719

    32. B5990

    33. Bb 0258538

    34. Cs-0064620

    35. Ft-0639229

    36. 1-(4-benzyloxyphenyl)-2-bromo-propane-1-one

    37. 1-(4-benzyloxy-phenyl)-2-bromo-propane-1-one

    38. A23206

    39. 081b459

    40. 2-bromo-1-[4-(phenylmethoxy)phenyl]-1-propanone

    41. J-514495

    42. 2-bromo-1-4-(phenylmethoxylphenyl)-1-propanone; 2-bro-mo-4 Inverted Exclamation Mark -(benzyloxy)propiophenone; 4-(benzyloxy)phenyl-bromoethylketone;1-(4-(benzyloxy)phenyl)-2-bromopropan-1-one

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 319.19 g/mol
    Molecular Formula C16H15BrO2
    XLogP34.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count5
    Exact Mass318.02554 g/mol
    Monoisotopic Mass318.02554 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity279
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1