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    Technical details about CAS 5445-19-2, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 5445-19-2

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    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

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    2D Structure
    1. Also known as: 5445-19-2, 2-bromohexanoic acid methyl ester, 4554-19-2, Methyl 2-bromocaproate, Hexanoic acid, 2-bromo-, methyl ester, 70288-61-8
    Molecular Formula
    C7H13BrO2
    Molecular Weight
    209.08  g/mol
    InChI Key
    YGLPDRIMFIXNBI-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 2-bromohexanoate
    2.1.2 InChI
    InChI=1S/C7H13BrO2/c1-3-4-5-6(8)7(9)10-2/h6H,3-5H2,1-2H3
    2.1.3 InChI Key
    YGLPDRIMFIXNBI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCC(C(=O)OC)Br
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 5445-19-2

    2. 2-bromohexanoic Acid Methyl Ester

    3. 4554-19-2

    4. Methyl 2-bromocaproate

    5. Hexanoic Acid, 2-bromo-, Methyl Ester

    6. 70288-61-8

    7. Methyl2-bromohexanoate

    8. Mfcd00045038

    9. Methyl 2-bromanylhexanoate

    10. Einecs 226-643-9

    11. Methyl Bromohexanoate

    12. Methyl-2-bromohexanoate

    13. Methyl Alpha-bromo Hexanoate

    14. 2-bromohexanoicacidmethylester

    15. Schembl873757

    16. Dtxsid9052715

    17. Yglpdrimfixnbi-uhfffaoysa-n

    18. 2-bromo-hexanoic Acid Methyl Ester

    19. Amy21797

    20. Cs-m2020

    21. Nsc21976

    22. Br1274

    23. Nsc 21976

    24. Nsc-21976

    25. Akos015917714

    26. As-12642

    27. Sy052225

    28. Methyl 2-bromohexanoate, >=99.0% (gc)

    29. Ft-0628441

    30. Ft-0628442

    31. M2378

    32. En300-66711

    33. F20310

    34. A826842

    35. A830187

    36. W-105624

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 209.08 g/mol
    Molecular Formula C7H13BrO2
    XLogP32.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count5
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area26.3
    Heavy Atom Count10
    Formal Charge0
    Complexity104
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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