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    Chemistry

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    Also known as: 37074-38-7, 4'-chloro-2'-methylacetophenone, 4-chloro-2-methylacetophenone, 1-(4-chloro-2-methylphenyl)ethan-1-one, Ethanone, 1-(4-chloro-2-methylphenyl)-, Ethanone,1-(4-chloro-2-methylphenyl)-
    Molecular Formula
    C9H9ClO
    Molecular Weight
    168.62  g/mol
    InChI Key
    SGUZXTCPCSYLNY-UHFFFAOYSA-N
    CAS 37074-38-7
    1 2D Structure

    CAS 37074-38-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(4-chloro-2-methylphenyl)ethanone
    2.1.2 InChI
    InChI=1S/C9H9ClO/c1-6-5-8(10)3-4-9(6)7(2)11/h3-5H,1-2H3
    2.1.3 InChI Key
    SGUZXTCPCSYLNY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=CC(=C1)Cl)C(=O)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 37074-38-7

    2. 4'-chloro-2'-methylacetophenone

    3. 4-chloro-2-methylacetophenone

    4. 1-(4-chloro-2-methylphenyl)ethan-1-one

    5. Ethanone, 1-(4-chloro-2-methylphenyl)-

    6. Ethanone,1-(4-chloro-2-methylphenyl)-

    7. Schembl4574528

    8. 2'-methyl-4'-chloroacetophenone

    9. Dtxsid80492505

    10. Mfcd07779243

    11. Zinc39209965

    12. Akos006285166

    13. 1-(4-chloro-2-methyl-phenyl)-ethanone

    14. 2-fluoro-6-iodobenzoylchloride97

    15. Bs-32356

    16. Ft-0690671

    17. E84184

    18. A1-10651

    2.3 Create Date
    2007-02-07
    3 Chemical and Physical Properties
    Molecular Weight 168.62 g/mol
    Molecular Formula C9H9ClO
    XLogP32.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass168.0341926 g/mol
    Monoisotopic Mass168.0341926 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity156
    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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