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    Technical details about 4CH-011620, learn more about the structure, uses, toxicity, action, side effects and more

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    4CH-011620

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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: 143612-79-7, 3-(4-chlorbutyl)-1h-indol-5-carbonitril, 3-(4-chlorobutyl)indole-5-carbonitrile, 1h-indole-5-carbonitrile, 3-(4-chlorobutyl)-, 3-(4-chlorobutyl)-5-cyanoindole, L6dng55pbh
    Molecular Formula
    C13H13ClN2
    Molecular Weight
    232.71  g/mol
    InChI Key
    NJJWMEJWFYRORL-UHFFFAOYSA-N
    FDA UNII
    L6DNG55PBH
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(4-chlorobutyl)-1H-indole-5-carbonitrile
    2.1.2 InChI
    InChI=1S/C13H13ClN2/c14-6-2-1-3-11-9-16-13-5-4-10(8-15)7-12(11)13/h4-5,7,9,16H,1-3,6H2
    2.1.3 InChI Key
    NJJWMEJWFYRORL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC2=C(C=C1C#N)C(=CN2)CCCCCl
    2.2 Other Identifiers
    2.2.1 UNII
    L6DNG55PBH
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 143612-79-7

    2. 3-(4-chlorbutyl)-1h-indol-5-carbonitril

    3. 3-(4-chlorobutyl)indole-5-carbonitrile

    4. 1h-indole-5-carbonitrile, 3-(4-chlorobutyl)-

    5. 3-(4-chlorobutyl)-5-cyanoindole

    6. L6dng55pbh

    7. Unii-l6dng55pbh

    8. Schembl3082624

    9. Dtxsid70432273

    10. 3-(4-chloro-butyl)-5-cyanoindole

    11. Bcp06422

    12. Cs-m1251

    13. Cl3519

    14. Mfcd09833261

    15. Zinc22010755

    16. Akos015924756

    17. Ac-25875

    18. As-19269

    19. Da-18262

    20. 3-(4-chlorobutyl)-1h-indol-5-carbonitrile

    21. Am20020489

    22. Ft-0696598

    23. A850798

    24. A1-00284

    25. J-510671

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 232.71 g/mol
    Molecular Formula C13H13ClN2
    XLogP32.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count4
    Exact Mass232.0767261 g/mol
    Monoisotopic Mass232.0767261 g/mol
    Topological Polar Surface Area39.6 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity270
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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