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    BUILDING BLOCK

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    Chemistry

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    Also known as: 146330-68-9, 2-chloro-1-(5h-chromeno[2,3-b]pyridin-7-yl)propan-1-one, 2-chloro-1-(5h-chromeno(2,3-b)pyridin-7-yl)-1-propanone, Ac8871, Mfcd32068442, Sy253268
    Molecular Formula
    C15H12ClNO2
    Molecular Weight
    273.71  g/mol
    InChI Key
    JGBGIEPSSRGFBG-UHFFFAOYSA-N
    CAS 146330-68-9
    1 2D Structure

    CAS 146330-68-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-chloro-1-(5H-chromeno[2,3-b]pyridin-7-yl)propan-1-one
    2.1.2 InChI
    InChI=1S/C15H12ClNO2/c1-9(16)14(18)10-4-5-13-12(7-10)8-11-3-2-6-17-15(11)19-13/h2-7,9H,8H2,1H3
    2.1.3 InChI Key
    JGBGIEPSSRGFBG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C(=O)C1=CC2=C(C=C1)OC3=C(C2)C=CC=N3)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 146330-68-9

    2. 2-chloro-1-(5h-chromeno[2,3-b]pyridin-7-yl)propan-1-one

    3. 2-chloro-1-(5h-chromeno(2,3-b)pyridin-7-yl)-1-propanone

    4. Ac8871

    5. Mfcd32068442

    6. Sy253268

    2.3 Create Date
    2014-11-03
    3 Chemical and Physical Properties
    Molecular Weight 273.71 g/mol
    Molecular Formula C15H12ClNO2
    XLogP33.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass273.0556563 g/mol
    Monoisotopic Mass273.0556563 g/mol
    Topological Polar Surface Area39.2 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity349
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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