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    Technical details about 2-Chlorobenzonitrile, learn more about the structure, uses, toxicity, action, side effects and more

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    2-Chlorobenzonitrile

    BUILDING BLOCK

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    2D Structure
    Also known as: 873-32-5, O-chlorobenzonitrile, Benzonitrile, 2-chloro-, O-chlorocyanobenzene, O-cyanochlorobenzene, Benzonitrile, o-chloro-
    Molecular Formula
    C7H4ClN
    Molecular Weight
    137.56  g/mol
    InChI Key
    NHWQMJMIYICNBP-UHFFFAOYSA-N
    FDA UNII
    C8Z5NE7QXJ
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-chlorobenzonitrile
    2.1.2 InChI
    InChI=1S/C7H4ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H
    2.1.3 InChI Key
    NHWQMJMIYICNBP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C(=C1)C#N)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    C8Z5NE7QXJ
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 873-32-5

    2. O-chlorobenzonitrile

    3. Benzonitrile, 2-chloro-

    4. O-chlorocyanobenzene

    5. O-cyanochlorobenzene

    6. Benzonitrile, O-chloro-

    7. 2-chloro-benzonitrile

    8. O-chlorbenzonitril

    9. Chlorobenzonitrile

    10. Nitril Kyseliny O-chlorbenzoove

    11. Dtxsid5052593

    12. Nsc-8438

    13. 61593-47-3

    14. O-chlorbenzonitril [czech]

    15. Nitril Kyseliny O-chlorbenzoove [czech]

    16. Ocbn

    17. Benzonitrile, Chloro-

    18. 1-chloro-2-cyanobenzene

    19. Nsc 8438

    20. Einecs 212-836-5

    21. Wln: Ncr Bg

    22. C8z5ne7qxj

    23. Ec 212-836-5

    24. 2-chlorobenzonitrile, 98%

    25. 2-chlorobenzoic Acid Nitrile

    26. Schembl73332

    27. 2-chloranylbenzenecarbonitrile

    28. Chembl3248211

    29. Dtxcid2031166

    30. Nsc8438

    31. Amy18038

    32. Str01137

    33. Tox21_303775

    34. Mfcd00001779

    35. Akos003616763

    36. Cs-w018317

    37. Ps-4027

    38. Ncgc00357067-01

    39. Cas-873-32-5

    40. Ns00009628

    41. En300-18409

    42. A842092

    43. W-104032

    44. Z57756581

    45. F0020-1816

    46. Inchi=1/c7h4cln/c8-7-4-2-1-3-6(7)5-9/h1-4

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 137.56 g/mol
    Molecular Formula C7H4ClN
    XLogP32
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area23.8
    Heavy Atom Count9
    Formal Charge0
    Complexity135
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1