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    Seqens is an integrated global leader in pharmaceutical solutions & specialty ingredients, & custom-made solutions to our customers.

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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 21172-88-3, Schembl2301675, Dtxsid50524403, Bcp09297, Chloro-5,6,7,8-tetrahydroquinoline, Mfcd09034992
    Molecular Formula
    C9H10ClN
    Molecular Weight
    167.63  g/mol
    InChI Key
    ZUXMRCHYHAWERW-UHFFFAOYSA-N
    CAS 21172-88-3
    1 2D Structure

    CAS 21172-88-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-chloro-5,6,7,8-tetrahydroquinoline
    2.1.2 InChI
    InChI=1S/C9H10ClN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h5-6H,1-4H2
    2.1.3 InChI Key
    ZUXMRCHYHAWERW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CCC2=C(C1)C=CC(=N2)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 21172-88-3

    2. Schembl2301675

    3. Dtxsid50524403

    4. Bcp09297

    5. Chloro-5,6,7,8-tetrahydroquinoline

    6. Mfcd09034992

    7. Zinc26507344

    8. Akos004120924

    9. Cs-w021655

    10. Ds-3621

    11. Sb68434

    12. 2-chloro-5,6,7,8-tetrahydro-quinoline

    13. Ac-32013

    14. Da-08249

    15. Ft-0762958

    16. A879213

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 167.63 g/mol
    Molecular Formula C9H10ClN
    XLogP33
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass167.0501770 g/mol
    Monoisotopic Mass167.0501770 g/mol
    Topological Polar Surface Area12.9 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity138
    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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