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    CAS 5922-60-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 5922-60-1, 5-chloroanthranilonitrile, Benzonitrile, 2-amino-5-chloro-, Anthranilonitrile, 5-chloro-, 2-amino-5-chloro-benzonitrile, 4-chloro-2-cyanoaniline
    Molecular Formula
    C7H5ClN2
    Molecular Weight
    152.58  g/mol
    InChI Key
    QYRDWARBHMCOAG-UHFFFAOYSA-N
    FDA UNII
    GY0X0082QB
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-amino-5-chlorobenzonitrile
    2.1.2 InChI
    InChI=1S/C7H5ClN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2
    2.1.3 InChI Key
    QYRDWARBHMCOAG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1Cl)C#N)N
    2.2 Other Identifiers
    2.2.1 UNII
    GY0X0082QB
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 5922-60-1

    2. 5-chloroanthranilonitrile

    3. Benzonitrile, 2-amino-5-chloro-

    4. Anthranilonitrile, 5-chloro-

    5. 2-amino-5-chloro-benzonitrile

    6. 4-chloro-2-cyanoaniline

    7. 2-amino-5-chlorobenzenecarbonitrile

    8. 2-cyano-4-chloroaniline

    9. Einecs 227-651-5

    10. Mfcd00017106

    11. Unii-gy0x0082qb

    12. 6-amino-3-chlorobenzonitrile

    13. Gy0x0082qb

    14. Amino(2-) 5-chloro-benzonitrile

    15. 5-chloro-2-aminobenzonitrile

    16. Schembl164458

    17. 2-amino-5-chloro Benzonitrile

    18. Dtxsid4022234

    19. 2-amino-5-chlorobenzonitrile, 98%

    20. Bbl011042

    21. Geo-00097

    22. Stk802208

    23. Akos005255386

    24. Cs-w019490

    25. Sb75818

    26. 1-cyano-2-amino-5-chlorobenzene

    27. Ac-15771

    28. As-12022

    29. Bp-20123

    30. Sy021137

    31. Ls-184951

    32. Am20050119

    33. Ft-0635905

    34. En300-130841

    35. S12320

    36. A832215

    37. Ap-685/40847984

    38. W-105336

    39. Q27279347

    40. F0001-1555

    41. Z991549028

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 152.58 g/mol
    Molecular Formula C7H5ClN2
    XLogP32.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area49.8
    Heavy Atom Count10
    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