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    Technical details about CAS 619-42-1, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 619-42-1

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    2D Structure
    Also known as: 619-42-1, Benzoic acid, 4-bromo-, methyl ester, Methyl p-bromobenzoate, 4-bromobenzoic acid methyl ester, P-bromobenzoic acid, methyl ester, Benzoic acid, p-bromo-, methyl ester
    Molecular Formula
    C8H7BrO2
    Molecular Weight
    215.04  g/mol
    InChI Key
    CZNGTXVOZOWWKM-UHFFFAOYSA-N
    FDA UNII
    UB1YSJ5XAR
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 4-bromobenzoate
    2.1.2 InChI
    InChI=1S/C8H7BrO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
    2.1.3 InChI Key
    CZNGTXVOZOWWKM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC(=O)C1=CC=C(C=C1)Br
    2.2 Other Identifiers
    2.2.1 UNII
    UB1YSJ5XAR
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 619-42-1

    2. Benzoic Acid, 4-bromo-, Methyl Ester

    3. Methyl P-bromobenzoate

    4. 4-bromobenzoic Acid Methyl Ester

    5. P-bromobenzoic Acid, Methyl Ester

    6. Benzoic Acid, P-bromo-, Methyl Ester

    7. Ub1ysj5xar

    8. P-bromobenzoic Acid Methyl Ester

    9. 4-bromo-benzoic Acid Methyl Ester

    10. Nsc-9392

    11. Mfcd00013531

    12. Unii-ub1ysj5xar

    13. Nsc 9392

    14. Einecs 210-596-6

    15. Methyl-4-bromobenzoate

    16. Methyl P-bromo Benzoate

    17. Methyl 4-bromo-benzoate

    18. Maybridge3_003726

    19. Methyl-4- Bromobenzoate,

    20. Schembl7623

    21. Methyl 4-bromobenzoate, 99%

    22. 4-bromobenzoicacid Methyl Ester

    23. F3095-4305

    24. Dtxsid7060702

    25. Zinc55169

    26. Nsc9392

    27. 4-bromo Benzoic Acid Methyl Ester

    28. 4-bromobenzoic Acid, Methyl Ester

    29. Hms1441j08

    30. Act01175

    31. 4-methoxycarbonylphenyl Bromide

    32. Akos002264647

    33. Ccg-252688

    34. Cs-w004846

    35. Gs-3045

    36. 4-methoxycarbonyl-1-bromobenzene

    37. Idi1_015113

    38. Ac-19470

    39. Sy001702

    40. 1-bromo-4-(methoxycarbonyl)benzene

    41. 4-bromo-phenyl Carboxylic Acid Methyl Ester

    42. Am20060697

    43. B0556

    44. Ft-0617866

    45. 4-bromobenzoic Acid Methyl Ester [mi]

    46. 19m421

    47. A833495

    48. Ae-848/01025045

    49. W-105074

    50. Q27290993

    51. Z19682625

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 215.04 g/mol
    Molecular Formula C8H7BrO2
    XLogP33
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass213.96294 g/mol
    Monoisotopic Mass213.96294 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity139
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1