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    BUILDING BLOCK

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    Chemistry

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    Also known as: 916792-10-4, 2-chloro[1,3]oxazolo[5,4-c]pyridine, 2-chloro-[1,3]oxazolo[5,4-c]pyridine, Mfcd07781161, Schembl21583676, Dtxsid10672616
    Molecular Formula
    C6H3ClN2O
    Molecular Weight
    154.55  g/mol
    InChI Key
    CVNMRDXBPVOJFI-UHFFFAOYSA-N
    CAS 916792-10-4
    1 2D Structure

    CAS 916792-10-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-chloro-[1,3]oxazolo[5,4-c]pyridine
    2.1.2 InChI
    InChI=1S/C6H3ClN2O/c7-6-9-4-1-2-8-3-5(4)10-6/h1-3H
    2.1.3 InChI Key
    CVNMRDXBPVOJFI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CN=CC2=C1N=C(O2)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 916792-10-4

    2. 2-chloro[1,3]oxazolo[5,4-c]pyridine

    3. 2-chloro-[1,3]oxazolo[5,4-c]pyridine

    4. Mfcd07781161

    5. Schembl21583676

    6. Dtxsid10672616

    7. Zinc55045520

    8. Akos016002492

    9. Sy273675

    10. Ts-02063

    11. A860263

    2.3 Create Date
    2010-06-22
    3 Chemical and Physical Properties
    Molecular Weight 154.55 g/mol
    Molecular Formula C6H3ClN2O
    XLogP31.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass153.9933904 g/mol
    Monoisotopic Mass153.9933904 g/mol
    Topological Polar Surface Area38.9 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity133
    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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