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    Technical details about CAS 4887-82-5, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 4887-82-5

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    2D Structure
    1. Also known as: 5-chlorobenzimidazole, 4887-82-5, 6-chloro-1h-benzimidazole, 6-chloro-1h-benzo[d]imidazole, 5-chloro-1h-benzo[d]imidazole, 1h-benzimidazole, 5-chloro-
    Molecular Formula
    C7H5ClN2
    Molecular Weight
    152.58  g/mol
    InChI Key
    NKLOLMQJDLMZRE-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-chloro-1H-benzimidazole
    2.1.2 InChI
    InChI=1S/C7H5ClN2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10)
    2.1.3 InChI Key
    NKLOLMQJDLMZRE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC2=C(C=C1Cl)NC=N2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 5-chlorobenzimidazole

    2. 4887-82-5

    3. 6-chloro-1h-benzimidazole

    4. 6-chloro-1h-benzo[d]imidazole

    5. 5-chloro-1h-benzo[d]imidazole

    6. 1h-benzimidazole, 5-chloro-

    7. Chembl69098

    8. Mfcd00059698

    9. 5-chloro-1h-1,3-benzodiazole

    10. 3kqw

    11. Nsc3059

    12. Einecs 225-503-4

    13. 6-chloro-1 H-benzimidazole

    14. 5-chlorobenzimidazole, 96%

    15. 5-chloro-1h-benzimidazole #

    16. Schembl1445052

    17. 6-chloro-1h-1,3-benzodiazole

    18. Dtxsid20197623

    19. Act08247

    20. Albb-024654

    21. Amy10738

    22. Nsc 3059

    23. Nsc-3059

    24. Zinc5425423

    25. Bdbm50404928

    26. Stl388902

    27. Akos000297100

    28. Akos000298837

    29. Mb04649

    30. Ncgc00184566-01

    31. Ncgc00184566-02

    32. Ncgc00184566-03

    33. Ncgc00184566-04

    34. Ds-10121

    35. Sy050745

    36. Cs-0035816

    37. Ft-0620309

    38. A18809

    39. W-202867

    40. Q27460054

    41. Es9

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 152.58 g/mol
    Molecular Formula C7H5ClN2
    XLogP32.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass152.0141259 g/mol
    Monoisotopic Mass152.0141259 g/mol
    Topological Polar Surface Area28.7 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity129
    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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