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    Technical details about CAS 105627-79-0, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 105627-79-0

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    PharmaCompass

    Biopharma Group offers CDMO services with expertise in contract R&D for dried products & liquid formulations.

    Rochem, your partner in developing, sourcing, and supplying pharmaceutical & animal health ingredients of Chinese origin.

    2D Structure
    1. Also known as: 105627-79-0, Isoquinoline-5-sulphonyl chloride hydrochloride, Isoquinoline-5-sulfonyl chloride hcl, Isoquinoline-5-sulfonyl chloride, hydrochloride, Isoquinoline-5-sulfonyl chloride;hydrochloride, Isoquinoline-5-sulphonyl chloride, hcl
    Molecular Formula
    C9H7Cl2NO2S
    Molecular Weight
    264.13  g/mol
    InChI Key
    GZQNTWHQJJVIAK-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    isoquinoline-5-sulfonyl chloride;hydrochloride
    2.1.2 InChI
    InChI=1S/C9H6ClNO2S.ClH/c10-14(12,13)9-3-1-2-7-6-11-5-4-8(7)9;/h1-6H;1H
    2.1.3 InChI Key
    GZQNTWHQJJVIAK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)Cl.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 105627-79-0

    2. Isoquinoline-5-sulphonyl Chloride Hydrochloride

    3. Isoquinoline-5-sulfonyl Chloride Hcl

    4. Isoquinoline-5-sulfonyl Chloride, Hydrochloride

    5. Isoquinoline-5-sulfonyl Chloride;hydrochloride

    6. Isoquinoline-5-sulphonyl Chloride, Hcl

    7. 5-isoquinolinesulfonylchloride, Hydrochloride (1:1)

    8. 5-isoquinolinesulfonyl Chloride Hydrochloride

    9. 5-isoquinolinesulfonyl Chloride, Hydrochloride

    10. Isoquinoline-5-sulfonylchloride Hydrochloride

    11. Schembl987360

    12. Amy9222

    13. Dtxsid70519255

    14. 5-isoquinolinesulfonyl Chloride.hcl

    15. Act03708

    16. Bcp09429

    17. Mfcd08272853

    18. Akos015897027

    19. Ac-8863

    20. Sb12511

    21. As-19483

    22. Bl003874

    23. Ft-0656691

    24. En300-42641

    25. Isoquinolin-5-ylsulphonyl Chloride Hydrochloride

    26. A801283

    27. A840796

    28. Isoquinoline-5-sulfonyl Chloride, Hydrochloride, Aldrichcpr

    29. Isoquinoline-5-sulfonyl Chloride--hydrogen Chloride (1/1)

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 264.13 g/mol
    Molecular Formula C9H7Cl2NO2S
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass262.9574550 g/mol
    Monoisotopic Mass262.9574550 g/mol
    Topological Polar Surface Area55.4 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity298
    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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