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    Technical details about CAS 94749-73-2, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 94749-73-2

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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: 94749-73-2, 4-(6-bromohexoxy)butylbenzene, (4-((6-bromohexyl)oxy)butyl)benzene, (4-(6-bromohexyloxy)butyl)benzene, [4-[(6-bromohexyl)oxy]butyl]benzene, {4-[(6-bromohexyl)oxy]butyl}benzene
    Molecular Formula
    C16H25BrO
    Molecular Weight
    313.27  g/mol
    InChI Key
    HYRIAERKUPZOCS-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(6-bromohexoxy)butylbenzene
    2.1.2 InChI
    InChI=1S/C16H25BrO/c17-13-7-1-2-8-14-18-15-9-6-12-16-10-4-3-5-11-16/h3-5,10-11H,1-2,6-9,12-15H2
    2.1.3 InChI Key
    HYRIAERKUPZOCS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)CCCCOCCCCCCBr
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 94749-73-2

    2. 4-(6-bromohexoxy)butylbenzene

    3. (4-((6-bromohexyl)oxy)butyl)benzene

    4. (4-(6-bromohexyloxy)butyl)benzene

    5. [4-[(6-bromohexyl)oxy]butyl]benzene

    6. {4-[(6-bromohexyl)oxy]butyl}benzene

    7. Schembl454150

    8. 4-(6-bromohexyloxy)butylbenzene

    9. Amy7538

    10. Dtxsid50451902

    11. 4-(6-bromohexyloxy)-butylbenzene

    12. 6-(4-phenylbutoxy)-hexyl-bromide

    13. 4-[(6-bromohexyl)oxy]butylbenzene

    14. 6-(4-phenyl-butoxy)-hexyl Bromide

    15. Zinc2569980

    16. (6-bromohexyl)(4-phenylbutyl) Ether

    17. 1-(4-(6-bromohexyloxy)butyl)benzene

    18. [4-[(6-bromohexyl)oxyl]butyl]benzene

    19. Ab92080

    20. [4-(6-bromo-hexyloxy)-butyl]-benzene

    21. 1-bromo-6-(4-phenylbut-1-yloxy)hexane

    22. Cs-0458176

    23. Ft-0729971

    24. E88175

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 313.27 g/mol
    Molecular Formula C16H25BrO
    XLogP34.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count11
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area9.2
    Heavy Atom Count18
    Formal Charge0
    Complexity167
    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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