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    CAS 1007089-84-0

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    CAS 1007089-84-0
    Also known as: 1007089-84-0, 3-chloromethyl-5-methylpyridine hydrochloride, 3-(chloromethyl)-5-methylpyridine, hcl, 3-(chloromethyl)-5-methylpyridine;hydrochloride, Mfcd11656303, 3-(chloromethyl)-5-methylpyridine hcl
    Molecular Formula
    C7H9Cl2N
    Molecular Weight
    178.06  g/mol
    InChI Key
    NCAHREJYXFDWGE-UHFFFAOYSA-N
    1 2D Structure

    CAS 1007089-84-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(chloromethyl)-5-methylpyridine;hydrochloride
    2.1.2 InChI
    InChI=1S/C7H8ClN.ClH/c1-6-2-7(3-8)5-9-4-6;/h2,4-5H,3H2,1H3;1H
    2.1.3 InChI Key
    NCAHREJYXFDWGE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=CN=C1)CCl.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1007089-84-0

    2. 3-chloromethyl-5-methylpyridine Hydrochloride

    3. 3-(chloromethyl)-5-methylpyridine, Hcl

    4. 3-(chloromethyl)-5-methylpyridine;hydrochloride

    5. Mfcd11656303

    6. 3-(chloromethyl)-5-methylpyridine Hcl

    7. 3-(chloromethyl)-5-methylpyridinehydrochloride

    8. Schembl2419772

    9. Dtxsid40647216

    10. 3-choromethyl-5-methylpyridine Hcl

    11. Bcp15251

    12. Akos015846560

    13. Cs-w021769

    14. Hs-3001

    15. Sb21491

    16. Sy021371

    17. Db-082415

    18. Ft-0769478

    19. 3-methyl-5-(chloromethyl)pyridine Hydrochloride

    20. En300-170719

    21. A897364

    22. J-510841

    23. 3-(chloromethyl)-5-methylpyridine--hydrogen Chloride (1/1)

    24. Pyridine, 3-(chloromethyl)-5-methyl-, Hydrochloride (1:1)

    25. 4(3,4-dichlorophenyl)1,2,3,4-tetrahydro-n-methyl-1-naphthaleneamineracemate

    2.3 Create Date
    2008-04-14
    3 Chemical and Physical Properties
    Molecular Weight 178.06 g/mol
    Molecular Formula C7H9Cl2N
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area12.9
    Heavy Atom Count10
    Formal Charge0
    Complexity85
    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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