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    BUILDING BLOCK

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    Chemistry

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    Also known as: 20146-59-2, 4-chloro-1h-quinolin-2-one, 4-chloro-2(1h)-quinolinone, 4-chloro-2-hydroxyquinoline, 4-chloro-quinolin-2-ol, 4-chloroquinolin-2-ol
    Molecular Formula
    C9H6ClNO
    Molecular Weight
    179.60  g/mol
    InChI Key
    YJXTZWWKNXVRHA-UHFFFAOYSA-N
    CAS 20146-59-2
    1 2D Structure

    CAS 20146-59-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-chloro-1H-quinolin-2-one
    2.1.2 InChI
    InChI=1S/C9H6ClNO/c10-7-5-9(12)11-8-4-2-1-3-6(7)8/h1-5H,(H,11,12)
    2.1.3 InChI Key
    YJXTZWWKNXVRHA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C2C(=C1)C(=CC(=O)N2)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 20146-59-2

    2. 4-chloro-1h-quinolin-2-one

    3. 4-chloro-2(1h)-quinolinone

    4. 4-chloro-2-hydroxyquinoline

    5. 4-chloro-quinolin-2-ol

    6. 4-chloroquinolin-2-ol

    7. Nsc170304

    8. Schembl2084671

    9. Dtxsid10305336

    10. Zinc8635200

    11. Mfcd05666398

    12. Zb0126

    13. 4-chloro-2-oxo-1,2-dihydroquinoline

    14. Akos006333026

    15. Mb03587

    16. Nsc-170304

    17. As-35876

    18. Db-081612

    19. 4-chloro-1,2-dihydroquinolin-2-one

    20. Cs-0097773

    21. Ft-0712426

    22. A879811

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 179.60 g/mol
    Molecular Formula C9H6ClNO
    XLogP31.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass179.0137915 g/mol
    Monoisotopic Mass179.0137915 g/mol
    Topological Polar Surface Area29.1 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity237
    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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