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    Technical details about CAS 4965-33-7, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS-4965-33-7

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 4965-33-7, 7-chloroquinaldine, 2-methyl-7-chloroquinoline, Quinoline, 7-chloro-2-methyl-, 7-chloro-2-methyl-quinoline, Mfcd00075436
    Molecular Formula
    C10H8ClN
    Molecular Weight
    177.63  g/mol
    InChI Key
    WQZQFYRSYLXBGP-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    7-chloro-2-methylquinoline
    2.1.2 InChI
    InChI=1S/C10H8ClN/c1-7-2-3-8-4-5-9(11)6-10(8)12-7/h2-6H,1H3
    2.1.3 InChI Key
    WQZQFYRSYLXBGP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=NC2=C(C=C1)C=CC(=C2)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 4965-33-7

    2. 7-chloroquinaldine

    3. 2-methyl-7-chloroquinoline

    4. Quinoline, 7-chloro-2-methyl-

    5. 7-chloro-2-methyl-quinoline

    6. Mfcd00075436

    7. 7-chloro Quinaldine

    8. 7-chloro2-methylquinoline

    9. 7-chloroquinaldine, 99%

    10. Dsstox_cid_31541

    11. Dsstox_rid_97426

    12. Dsstox_gsid_57752

    13. 7-chloro-2-methylquinoline #

    14. Schembl1459737

    15. Chembl3561836

    16. Dtxsid0057752

    17. Wqzqfyrsylxbgp-uhfffaoysa-

    18. Zinc156876

    19. Act10318

    20. Bcp24430

    21. Tox21_113767

    22. Akos009118597

    23. Ac-7835

    24. Cs-w020576

    25. Ds-0535

    26. Ps-8565

    27. Sb67319

    28. Ncgc00253640-01

    29. Sy015399

    30. Cas-4965-33-7

    31. Am20070249

    32. C1453

    33. Ft-0621376

    34. En300-27033

    35. 65c337

    36. A26317

    37. O11651

    38. Sr-01000944799

    39. J-519196

    40. Sr-01000944799-1

    41. Z1245635857

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 177.63 g/mol
    Molecular Formula C10H8ClN
    XLogP33.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass177.0345270 g/mol
    Monoisotopic Mass177.0345270 g/mol
    Topological Polar Surface Area12.9 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity160
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1