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    Chemistry

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    Also known as: Schembl21989604, Cs-0374544, 2375594-89-9
    Molecular Formula
    C9H9BrFN3
    Molecular Weight
    258.09  g/mol
    InChI Key
    ADCIMBUZYWXIAF-UHFFFAOYSA-N
    CAS 2375594-89-9
    1 2D Structure

    CAS 2375594-89-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-bromo-4-fluoro-3-propan-2-ylimidazo[4,5-c]pyridine
    2.1.2 InChI
    InChI=1S/C9H9BrFN3/c1-5(2)14-4-12-6-3-7(10)13-9(11)8(6)14/h3-5H,1-2H3
    2.1.3 InChI Key
    ADCIMBUZYWXIAF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)N1C=NC2=CC(=NC(=C21)F)Br
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Schembl21989604

    2. Cs-0374544

    3. 2375594-89-9

    2.3 Create Date
    2020-06-27
    3 Chemical and Physical Properties
    Molecular Weight 258.09 g/mol
    Molecular Formula C9H9BrFN3
    XLogP32.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area30.7
    Heavy Atom Count14
    Formal Charge0
    Complexity214
    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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