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    CAS 143016-69-7

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    CAS 143016-69-7
    Also known as: 143016-69-7, (3,5-dimethyl-4-nitropyridin-2-yl)methanol;hydrochloride, Schembl7943678, Akos015909069, (3,5-dimethyl-4-nitropyridin-2-yl)methanolhydrochloride, 2-pyridinemethanol,3,5-dimethyl-4-nitro-,hydrochloride(1:1)
    Molecular Formula
    C8H11ClN2O3
    Molecular Weight
    218.64  g/mol
    InChI Key
    XJBKLMJRLAGGFP-UHFFFAOYSA-N
    1 2D Structure

    CAS 143016-69-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3,5-dimethyl-4-nitropyridin-2-yl)methanol;hydrochloride
    2.1.2 InChI
    InChI=1S/C8H10N2O3.ClH/c1-5-3-9-7(4-11)6(2)8(5)10(12)13;/h3,11H,4H2,1-2H3;1H
    2.1.3 InChI Key
    XJBKLMJRLAGGFP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CN=C(C(=C1[N+](=O)[O-])C)CO.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 143016-69-7

    2. (3,5-dimethyl-4-nitropyridin-2-yl)methanol;hydrochloride

    3. Schembl7943678

    4. Akos015909069

    5. (3,5-dimethyl-4-nitropyridin-2-yl)methanolhydrochloride

    6. 2-pyridinemethanol,3,5-dimethyl-4-nitro-,hydrochloride(1:1)

    7. (3,5-dimethyl-4-nitropyridin-2-yl)methanol Hydrochloride

    8. 2-pyridinemethanol,3,5-dimethyl-4-nitro-, Hydrochloride (1:1)

    2.3 Create Date
    2007-12-04
    3 Chemical and Physical Properties
    Molecular Weight 218.64 g/mol
    Molecular Formula C8H11ClN2O3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass218.0458199 g/mol
    Monoisotopic Mass218.0458199 g/mol
    Topological Polar Surface Area78.9 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity192
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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    4-Methoxy 3,5-dimethyl 2-chloromethyl pyridine.HCl

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