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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 107512-34-5, Pyridine, 4-chloro-3-methoxy-2-methyl-, 4-chloro-3-methoxy-2-methyl-pyridine, Schembl900450, Dtxsid50441989, Albb-027299
    Molecular Formula
    C7H8ClNO
    Molecular Weight
    157.60  g/mol
    InChI Key
    RYGXNMUVOHCPBF-UHFFFAOYSA-N
    CAS 107512-34-5
    1 2D Structure

    CAS 107512-34-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-chloro-3-methoxy-2-methylpyridine
    2.1.2 InChI
    InChI=1S/C7H8ClNO/c1-5-7(10-2)6(8)3-4-9-5/h3-4H,1-2H3
    2.1.3 InChI Key
    RYGXNMUVOHCPBF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=NC=CC(=C1OC)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 107512-34-5

    2. Pyridine, 4-chloro-3-methoxy-2-methyl-

    3. 4-chloro-3-methoxy-2-methyl-pyridine

    4. Schembl900450

    5. Dtxsid50441989

    6. Albb-027299

    7. 2-methyl-3-methoxy-4-chloropyridine

    8. Mfcd16610605

    9. Zinc39038289

    10. Akos016845851

    11. Pb19448

    12. As-34796

    13. Cs-0050928

    14. En300-101405

    15. A895430

    16. 2,2-bi-9h-fluorene,7-bromo-9,9,9,9-tetraethyl-

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 157.60 g/mol
    Molecular Formula C7H8ClNO
    XLogP31.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area22.1
    Heavy Atom Count10
    Formal Charge0
    Complexity110
    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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