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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

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