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    BUILDING BLOCK

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    Chemistry

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    Also known as: 943034-50-2, 5-(2-chloroethyl)-2,3-dihydro-1-benzofuran, Schembl4060161, Dtxsid90648091, Bcp11434, Cs-m1816
    Molecular Formula
    C10H11ClO
    Molecular Weight
    182.64  g/mol
    InChI Key
    UOWBUUHBGKOXGH-UHFFFAOYSA-N
    CAS 943034-50-2
    1 2D Structure

    CAS 943034-50-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-(2-chloroethyl)-2,3-dihydro-1-benzofuran
    2.1.2 InChI
    InChI=1S/C10H11ClO/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,7H,3-6H2
    2.1.3 InChI Key
    UOWBUUHBGKOXGH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1COC2=C1C=C(C=C2)CCCl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 943034-50-2

    2. 5-(2-chloroethyl)-2,3-dihydro-1-benzofuran

    3. Schembl4060161

    4. Dtxsid90648091

    5. Bcp11434

    6. Cs-m1816

    7. Zinc21982759

    8. Akos006307086

    9. Ac-26360

    10. Cs-13490

    11. Ft-0687198

    12. 034c502

    13. A852189

    2.3 Create Date
    2008-10-20
    3 Chemical and Physical Properties
    Molecular Weight 182.64 g/mol
    Molecular Formula C10H11ClO
    XLogP32.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass182.0498427 g/mol
    Monoisotopic Mass182.0498427 g/mol
    Topological Polar Surface Area9.2 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity149
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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