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    Technical details about CAS-2417-72-3, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS-2417-72-3

    Manufacturers/Suppliers

    PharmaCompass

    Centrient is a leading manufacturer of Beta-Lactam Antibiotics and a provider of next-generation Statins and Antifungals.

    IKF/Pharmasynthese have been with fine chemicals market and APIs performance for more than 40 years.

    2D Structure
    1. Also known as: 2417-72-3, Methyl 4-bromomethylbenzoate, 4-bromomethylbenzoic acid methyl ester, 4-(bromomethyl)benzoic acid methyl ester, Benzoic acid, 4-(bromomethyl)-, methyl ester, Methyl4-(bromomethyl)benzoate
    Molecular Formula
    C9H9BrO2
    Molecular Weight
    229.07  g/mol
    InChI Key
    NLWBJPPMPLPZIE-UHFFFAOYSA-N
    FDA UNII
    C9GY6V54X6
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 4-(bromomethyl)benzoate
    2.1.2 InChI
    InChI=1S/C9H9BrO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6H2,1H3
    2.1.3 InChI Key
    NLWBJPPMPLPZIE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC(=O)C1=CC=C(C=C1)CBr
    2.2 Other Identifiers
    2.2.1 UNII
    C9GY6V54X6
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2417-72-3

    2. Methyl 4-bromomethylbenzoate

    3. 4-bromomethylbenzoic Acid Methyl Ester

    4. 4-(bromomethyl)benzoic Acid Methyl Ester

    5. Benzoic Acid, 4-(bromomethyl)-, Methyl Ester

    6. Methyl4-(bromomethyl)benzoate

    7. Mfcd00032453

    8. Methyl-4-(bromomethyl)benzoate

    9. Methyl 4-bromomethyl Benzoate

    10. C9gy6v54x6

    11. Dtxsid4049406

    12. Nsc-83959

    13. Methyl P-(bromomethyl)benzoate

    14. P-(methoxycarbonyl)benzyl Bromide

    15. 4-(methoxycarbonyl)benzyl Bromide

    16. 4-carbomethoxybenzyl Bromide

    17. 4-bromomethyl Benzoic Acid Methyl Ester

    18. Methyl Alpha-bromo-p-toluate

    19. 4-bromomethyl-benzoic Acid Methyl Ester

    20. Methyl-4-bromomethylbenzoate

    21. (4-carbmethoxy)benzylbromide

    22. Nciopen2_004628

    23. Unii-c9gy6v54x6

    24. Schembl33494

    25. Methyl-4(bromomethyl)benzoate

    26. (4-carbmethoxy) Benzylbromide

    27. P-methoxycarbonylbenzyl Bromide

    28. 4-methoxycarbonylbenzyl Bromide

    29. 4-(carbomethoxy)benzyl Bromide

    30. Methy 4-(bromomethyl)benzoate

    31. Methyl (4-bromomethyl)benzoate

    32. Methy 4-(bromomethyl) Benzoate

    33. Methyl 4-(bromomethy) Benzoate

    34. Methyl 4-(bromomethy)-benzoate

    35. 4-methoxycarbonyl-benzyl Bromide

    36. Chembl3183843

    37. Dtxcid3029366

    38. Methyl 4- (bromomethyl)benzoate

    39. Methyl 4-(bromomethyl) Benzoate

    40. Methyl 4-(bromomethyl)-benzoate

    41. Methyl-4-(bromomethyl)-benzoate

    42. Methyl 4-(bromo-methyl)benzoate

    43. 4-methoxy Carbonyl Benzyl Bromide

    44. Bcp30275

    45. Nsc83959

    46. Str03614

    47. Tox21_202815

    48. Ab7470

    49. Nsc 83959

    50. [4-(methoxycarbonyl)-benzyl]-bromide

    51. P-bromomethylbenzoic Acid Methyl Ester

    52. 4bromomethyl-benzoic Acid Methyl Ester

    53. Akos000119636

    54. Methyl 4-(bromomethyl)benzoate, 98%

    55. Ac-4378

    56. Alpha-bromo-p-toluic Acid Methyl Ester

    57. Cs-w008845

    58. Ncgc00260361-01

    59. Ncgc00320831-01

    60. 4-(bromo-methyl)benzoic Acid Methyl Ester

    61. 4-(bromomethyl)benzoic Acid, Methyl Ester

    62. Cas-2417-72-3

    63. P-toluic Acid, Alpha-bromo-, Methyl Ester

    64. 4-(bromo-methyl)-benzoic Acid Methyl Ester

    65. A4993

    66. Am20030428

    67. B2053

    68. Bb 0258786

    69. Ft-0616713

    70. En300-18210

    71. Ab01315911-02

    72. Q-102004

    73. Z57358719

    74. F1019-0028

    75. Methyl 4-(bromomethyl)benzoate;methyl 4-bromomethylbenzoate

    76. Inchi=1/c9h9bro2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5h,6h2,1h

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 229.07 g/mol
    Molecular Formula C9H9BrO2
    XLogP32.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area26.3
    Heavy Atom Count12
    Formal Charge0
    Complexity151
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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