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    Technical details about CAS 473923-97-6, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 473923-97-6

    Manufacturers/Suppliers

    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

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    2D Structure
    1. Also known as: 473923-97-6, 3-chloro-5-hydroxy-benzonitrile, 3-chloro-5-cyanophenol, Benzonitrile, 3-chloro-5-hydroxy-, Mfcd11226540, Schembl508208
    Molecular Formula
    C7H4ClNO
    Molecular Weight
    153.56  g/mol
    InChI Key
    GHYUOOZZOMUNSY-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-chloro-5-hydroxybenzonitrile
    2.1.2 InChI
    InChI=1S/C7H4ClNO/c8-6-1-5(4-9)2-7(10)3-6/h1-3,10H
    2.1.3 InChI Key
    GHYUOOZZOMUNSY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C=C(C=C1O)Cl)C#N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 473923-97-6

    2. 3-chloro-5-hydroxy-benzonitrile

    3. 3-chloro-5-cyanophenol

    4. Benzonitrile, 3-chloro-5-hydroxy-

    5. Mfcd11226540

    6. Schembl508208

    7. Dtxsid60620627

    8. Act00877

    9. Bcp27268

    10. Bbl101919

    11. Cl8191

    12. Stl555716

    13. Zinc36533509

    14. Akos005255725

    15. Ac-6904

    16. Cs-w018943

    17. Fs-2611

    18. Sy013122

    19. 3-chloro-5-hydroxybenzonitrile, Aldrichcpr

    20. Db-030918

    21. Am20050252

    22. Bb 0261190

    23. Ft-0647720

    24. 923c976

    25. J-512269

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 153.56 g/mol
    Molecular Formula C7H4ClNO
    XLogP32.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass152.9981414 g/mol
    Monoisotopic Mass152.9981414 g/mol
    Topological Polar Surface Area44 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity162
    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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