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    CAS 503070-57-3 manufacturers and suppliers on PharmaCompass

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    Benzene,

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    Benzene,
    Also known as: 503070-57-3, 2-((2-((6-bromohexyl)oxy)ethoxy)methyl)-1,3-dichlorobenzene, Benzene, 2-[[2-[(6-bromohexyl)oxy]ethoxy]methyl]-1,3-dichloro, 2-[2-(6-bromohexoxy)ethoxymethyl]-1,3-dichlorobenzene, Mfcd21337362, 2-[[2-[(6-bromohexyl)oxy]ethoxy]methyl]-1,3-dichlorobenzene
    Molecular Formula
    C15H21BrCl2O2
    Molecular Weight
    384.1  g/mol
    InChI Key
    AKLUHFHHUBIDQA-UHFFFAOYSA-N
    1 2D Structure

    Benzene,

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[2-(6-bromohexoxy)ethoxymethyl]-1,3-dichlorobenzene
    2.1.2 InChI
    InChI=1S/C15H21BrCl2O2/c16-8-3-1-2-4-9-19-10-11-20-12-13-14(17)6-5-7-15(13)18/h5-7H,1-4,8-12H2
    2.1.3 InChI Key
    AKLUHFHHUBIDQA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C(=C1)Cl)COCCOCCCCCCBr)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 503070-57-3

    2. 2-((2-((6-bromohexyl)oxy)ethoxy)methyl)-1,3-dichlorobenzene

    3. Benzene, 2-[[2-[(6-bromohexyl)oxy]ethoxy]methyl]-1,3-dichloro

    4. 2-[2-(6-bromohexoxy)ethoxymethyl]-1,3-dichlorobenzene

    5. Mfcd21337362

    6. 2-[[2-[(6-bromohexyl)oxy]ethoxy]methyl]-1,3-dichlorobenzene

    7. 2-(2-(6-bromohexyloxy)ethoxymethyl)-1,3-dichlorobenzene

    8. 2-({2-[(6-bromohexyl)oxy]ethoxy}methyl)-1,3-dichlorobenzene

    9. Vilanterol Intermediate

    10. Schembl924842

    11. Amy30043

    12. Bcp17123

    13. Cs-m2591

    14. Zinc114854410

    15. Ac-30864

    16. Ds-12378

    17. Sy046035

    18. Ft-0777906

    19. F11658

    20. 2-[2-(6-bromo-hexyloxy)-ethoxvmethyl]-1,3-dichloro-benzene

    21. 2-[2-(6-bromo-hexyloxy)-ethoxymethyl]-1,3-dichloro-benzene

    22. Benzene,2-((2-((6-bromohexyl)oxy)ethoxy)methyl)-1,3-dichloro-

    2.3 Create Date
    2012-11-30
    3 Chemical and Physical Properties
    Molecular Weight 384.1 g/mol
    Molecular Formula C15H21BrCl2O2
    XLogP34.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count11
    Exact Mass382.01020 g/mol
    Monoisotopic Mass382.01020 g/mol
    Topological Polar Surface Area18.5 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity222
    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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