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    CAS 33626-98-1

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 33626-98-1, Methyl 6-bromonaphthalene-2-carboxylate, 6-bromo-2-naphthalenecarboxylic acid methyl ester, 2-naphthalenecarboxylic acid, 6-bromo-, methyl ester, Mfcd00100408, 6-bromo-2-naphthoic acid methyl ester
    Molecular Formula
    C12H9BrO2
    Molecular Weight
    265.10  g/mol
    InChI Key
    JEUBRLPXJZOGPX-UHFFFAOYSA-N
    FDA UNII
    47YX2K4GR3
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 6-bromonaphthalene-2-carboxylate
    2.1.2 InChI
    InChI=1S/C12H9BrO2/c1-15-12(14)10-3-2-9-7-11(13)5-4-8(9)6-10/h2-7H,1H3
    2.1.3 InChI Key
    JEUBRLPXJZOGPX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC(=O)C1=CC2=C(C=C1)C=C(C=C2)Br
    2.2 Other Identifiers
    2.2.1 UNII
    47YX2K4GR3
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 33626-98-1

    2. Methyl 6-bromonaphthalene-2-carboxylate

    3. 6-bromo-2-naphthalenecarboxylic Acid Methyl Ester

    4. 2-naphthalenecarboxylic Acid, 6-bromo-, Methyl Ester

    5. Mfcd00100408

    6. 6-bromo-2-naphthoic Acid Methyl Ester

    7. 47yx2k4gr3

    8. 2-bromo-6-methoxycarbonylnaphthalene

    9. Methyl 6-(3-benzyl-4-((2-methoxyethoxy)methoxy)phenyl)-2-naphthoate

    10. Methyl 6-bromo-2-napthoate

    11. Methyl-6-bromo-2-naphtoate

    12. Unii-47yx2k4gr3

    13. 6-bromonaphthalene-2-carboxylic Acid Methyl Ester

    14. Adapalene Related Compound A

    15. Schembl181238

    16. Dtxsid50357551

    17. Zinc404006

    18. Bcp27227

    19. Adapalene Related Compound A [usp]

    20. Ab7472

    21. Methyl 6-bromo-2-naphthoate, 98%

    22. Stk687830

    23. Akos005600350

    24. Ac-7766

    25. Cs-w007811

    26. Methyl 6-bromo-2-naphthalenecarboxylate

    27. Methyl 6-bromo-2-naphthalene Carboxylate

    28. As-14806

    29. Sy007269

    30. Db-048463

    31. A5977

    32. Ft-0628686

    33. Adapalene Related Compound A [usp-rs]

    34. 6-bromo-naphthalene-2-carboxylic Acid Methyl Ester

    35. 626m981

    36. Adapalene Related Compound A [usp Impurity]

    37. Q-201379

    38. 6-bromo-naphthalene-2-carboxylic Acid Methyl Ester;methyl 6-bromo-2-naphthoate

    39. Adapalene Related Compound A, United States Pharmacopeia (usp) Reference Standard

    2.4 Create Date
    2005-07-09
    3 Chemical and Physical Properties
    Molecular Weight 265.10 g/mol
    Molecular Formula C12H9BrO2
    XLogP33.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass263.97859 g/mol
    Monoisotopic Mass263.97859 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity242
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1