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    Technical details about CAS 99548-55-7, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 99548-55-7

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    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: 99548-55-7, 4-bromo-2-methyl-benzoic acid methyl ester, Methyl-4-bromo-2-methylbenzoate, Benzoic acid, 4-bromo-2-methyl-, methyl ester, 4-bromo-2-methylbenzoic acid methyl ester, Mfcd09954957
    Molecular Formula
    C9H9BrO2
    Molecular Weight
    229.07  g/mol
    InChI Key
    CYEXEOXALMJXDI-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 4-bromo-2-methylbenzoate
    2.1.2 InChI
    InChI=1S/C9H9BrO2/c1-6-5-7(10)3-4-8(6)9(11)12-2/h3-5H,1-2H3
    2.1.3 InChI Key
    CYEXEOXALMJXDI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=CC(=C1)Br)C(=O)OC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 99548-55-7

    2. 4-bromo-2-methyl-benzoic Acid Methyl Ester

    3. Methyl-4-bromo-2-methylbenzoate

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

    5. 4-bromo-2-methylbenzoic Acid Methyl Ester

    6. Mfcd09954957

    7. Benzoic Acid,4-bromo-2-methyl-,methyl Ester

    8. Methyl 4-bromo-2-methyl-benzoate

    9. Methyl 4-bromo-methylbenzoate

    10. Schembl187447

    11. Methyl4-bromo-2-methyl-benzoate

    12. Dtxsid10621806

    13. 3-(3-nitroguanidino)propyl Acetate

    14. Act00613

    15. Albb-027290

    16. Zinc26894744

    17. Akos007930562

    18. Ab55602

    19. Cs-w003703

    20. Gs-4229

    21. 4-bromo-2-methyl-benzoicacidmethylester

    22. Methyl 4-bromobenzoic Acid Methyl Ester

    23. Am804636

    24. Sy008012

    25. 2-methyl-4-bromobenzoic Acid Methyl Ester

    26. 4-bromo-2-methylbenzoic Acid, Methyl Ester

    27. Ft-0647529

    28. En300-60092

    29. J-522318

    30. Z796328472

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 229.07 g/mol
    Molecular Formula C9H9BrO2
    XLogP33.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass227.97859 g/mol
    Monoisotopic Mass227.97859 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity170
    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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