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    CAS 85259-19-4

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 85259-19-4, Methyl 2-bromo-2-(2-chlorophenyl)acetate, Methyl , A-bromo-2-chlorophenylacetate, Methyl alpha-bromo-2-chloro-phenylacetate, Methyl bromo(2-chlorophenyl)acetate
    Molecular Formula
    C9H8BrClO2
    Molecular Weight
    263.51  g/mol
    InChI Key
    HMBUCZUZRQQJQD-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 2-bromo-2-(2-chlorophenyl)acetate
    2.1.2 InChI
    InChI=1S/C9H8BrClO2/c1-13-9(12)8(10)6-4-2-3-5-7(6)11/h2-5,8H,1H3
    2.1.3 InChI Key
    HMBUCZUZRQQJQD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC(=O)C(C1=CC=CC=C1Cl)Br
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 85259-19-4

    2. Methyl 2-bromo-2-(2-chlorophenyl)acetate

    3. Methyl

    4. A-bromo-2-chlorophenylacetate

    5. Methyl Alpha-bromo-2-chloro-phenylacetate

    6. Methyl Bromo(2-chlorophenyl)acetate

    7. 2-bromo-2-(2-chlorophenyl)acetic Acid Methyl Ester

    8. Mfcd08444353

    9. Methyl A-bromo-2-chlorophenylacetate

    10. Schembl661387

    11. Schembl14009484

    12. Dtxsid10444113

    13. Methyl ?-bromo-2-chlorophenylacetate

    14. Akos009099270

    15. Ac-8159

    16. Gs-4226

    17. Methyl Alpha-bromo-o-chlorophenylacetate

    18. Methyl Alpha -bromo-2-chlorophenylacetate

    19. Sy011604

    20. 2-chloro-alpha-methoxycarbonylbenzyl Bromide

    21. Db-076309

    22. Am20061111

    23. Ft-0649279

    24. Ft-0654298

    25. M2175

    26. Bromo-2-chlorophenyl Acetic Acid Methyl Ester

    27. En300-25399

    28. Bromo-(2-chlorophenyl)-acetic Acid Methyl Ester

    29. 259m194

    30. A863633

    31. Alpha-bromo-2-chlorophenylacetic Acid Methyl Ester

    32. Alpha-bromo-(2-chlorophenyl)acetic Acid Methyl Ester

    33. Alpha-bromo-2- Chlorophenyl Acetic Acid Methyl Ester

    34. Alpha-bromo-2-chloro-phenylacetic Acid Methyl Ester

    35. Alpha-bromo-2-chlorophenyl Acetic Acid Methyl Ester

    36. J-522586

    37. Alpha-bromo-2-(2-chlorophenyl)acetic Acid Methyl Ester

    38. Alpha-bromo-2-chloro-phenylacetic Acid Methyl Ester;methyl Alpha-bromo-2-chlorophenylacetate

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 263.51 g/mol
    Molecular Formula C9H8BrClO2
    XLogP33.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass261.93962 g/mol
    Monoisotopic Mass261.93962 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity187
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1