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    Technical details about CAS 114772-38-2, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 114772-38-2

    BUILDING BLOCK

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    2D Structure
    Also known as: 114772-38-2, Methyl 4'-bromomethyl biphenyl-2-carboxylate, Methyl 4'-(bromomethyl)biphenyl-2-carboxylate, 133240-26-3, Methyl 4'-(bromomethyl)-[1,1'-biphenyl]-2-carboxylate, Methyl 4'-bromomethylbiphenyl-2-carboxylate
    Molecular Formula
    C15H13BrO2
    Molecular Weight
    305.17  g/mol
    InChI Key
    RMXGTMRDXKUUDJ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 2-[4-(bromomethyl)phenyl]benzoate
    2.1.2 InChI
    InChI=1S/C15H13BrO2/c1-18-15(17)14-5-3-2-4-13(14)12-8-6-11(10-16)7-9-12/h2-9H,10H2,1H3
    2.1.3 InChI Key
    RMXGTMRDXKUUDJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CBr
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 114772-38-2

    2. Methyl 4'-bromomethyl Biphenyl-2-carboxylate

    3. Methyl 4'-(bromomethyl)biphenyl-2-carboxylate

    4. 133240-26-3

    5. Methyl 4'-(bromomethyl)-[1,1'-biphenyl]-2-carboxylate

    6. Methyl 4'-bromomethylbiphenyl-2-carboxylate

    7. 4'-bromomethyl-(1,1'-biphenyl)-2-carboxylic Acid Methyl Ester

    8. Methyl 4'-bromomethyl-2-biphenylcarboxylate

    9. Methyl 4'-bromomethyl-biphenyl-2-carboxylate

    10. [1,1'-biphenyl]-2-carboxylic Acid, 4'-(bromomethyl)-, Methyl Ester

    11. 4'-bromomethylbiphenyl-2-carboxylic Acid, Methyl Ester

    12. Mfcd06200816

    13. Telmisartan Related Compound

    14. Methyl 4/'-bromomethylbiphenyl-2-carboxylate

    15. 4'-bromomethylbiphenyl-2-carboxylic Acid Methyl Ester

    16. Methyl 2-(4-(bromomethyl)phenyl)benzoate

    17. 2-[4-(bromomethyl)phenyl]benzoic Acid Methyl Ester

    18. Methyl 4'-(bromomethyl)[1,1'-biphenyl]-2-carboxylate

    19. Methyl 4'-(bromomethyl)-(1,1'-biphenyl)-2-carboxylate

    20. 2'-(methoxycarbonyl)biphenyl-4-ylmethyl Bromide

    21. Methyl 2-(4'-bromomethylphenyl)benzoate

    22. Schembl562

    23. Ec 601-325-6

    24. Rmxgtmrdxkuudj-uhfffaoysa-

    25. Dtxsid70921490

    26. Bcp12011

    27. Zinc21297450

    28. 4'-bromomethyl-2-carbomethoxybiphenyl

    29. Akos015888233

    30. Ab23054

    31. Ac-2016

    32. Am90278

    33. Methyl 2-(4-bromomethylphenyl)benzoate

    34. Methyl 2-(4'-bromomethlphenyl)benzoate

    35. 4-bromomethyl-2'-methoxycarbonylbiphenyl

    36. Methyl 2-(4'-bromomethylpbenyl)benzoate

    37. Methyl2-[4-(bromomethyl)phenyl]benzoate

    38. 4-bromomethyl-2'-methoxycarbonyl-biphenyl

    39. As-11906

    40. Sy035596

    41. Db-062964

    42. Ft-0642791

    43. M1806

    44. Methyl 4\'-bromomethyl Biphenyl-2-carboxylate

    45. Methyl 4'-(bromomethyl)-biphenyl-2-carboxylate

    46. A803229

    47. Methyl 4'-bromomethyl-1,1'-biphenyl-2-carboxylate

    48. Q-201376

    49. 4'-(bromomethyl)biphenyl-2-carboxylic Acid Methyl Ester

    50. Methyl 4'-(bromomethyl)-(1,1'-biphenyl)-2 -carboxylate

    51. [(2'-(methoxycarbonyl)-(1,1'-biphenyl)-4-yl)-methyl]-bromide

    52. Methyl 4 Inverted Exclamation Mark -(bromomethyl)biphenyl-2-carboxylate

    53. 4 Inverted Exclamation Mark -bromomethylbiphenyl-2-carboxylic Acid, Methyl Ester

    54. Telmisartan Bromo Methyl Ester Impurity;methyl 2-[4-(bromomethyl)phenyl]benzoate;2-[4-(bromomethyl)phenyl]benzoic Acid Methyl Ester

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 305.17 g/mol
    Molecular Formula C15H13BrO2
    XLogP34.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count4
    Exact Mass304.00989 g/mol
    Monoisotopic Mass304.00989 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity272
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1