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    2-Chloro-[1,4]Naphthoquinone

    BUILDING BLOCK

    PharmaCompass
    $ API Ref.Price (USD/KG) : 47Xls

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    2D Structure
    Also known as: 1010-60-2, 2-chloronaphthalene-1,4-dione, 2-chloronaphthoquinone, 1,4-naphthalenedione, 2-chloro-, 2-chloro-1,4-naphthalenedione, Nsc 400597
    Molecular Formula
    C10H5ClO2
    Molecular Weight
    192.60  g/mol
    InChI Key
    CCTJHVLTAJTPBV-UHFFFAOYSA-N
    FDA UNII
    FOF3PSJ59Z
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-chloronaphthalene-1,4-dione
    2.1.2 InChI
    InChI=1S/C10H5ClO2/c11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-5H
    2.1.3 InChI Key
    CCTJHVLTAJTPBV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C2C(=C1)C(=O)C=C(C2=O)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    FOF3PSJ59Z
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Chloro-k3

    2.3.2 Depositor-Supplied Synonyms

    1. 1010-60-2

    2. 2-chloronaphthalene-1,4-dione

    3. 2-chloronaphthoquinone

    4. 1,4-naphthalenedione, 2-chloro-

    5. 2-chloro-1,4-naphthalenedione

    6. Nsc 400597

    7. 1,4-naphthoquinone, 2-chloro-

    8. Fof3psj59z

    9. Chebi:28160

    10. Mfcd00029187

    11. Nsc-400597

    12. 2-chloronaphthalene-1,4-dione (2-chloro-1,4-naphthoquinone)

    13. Einecs 213-776-2

    14. Unii-fof3psj59z

    15. Brn 1867045

    16. Chloronaphthoquinone

    17. 2-chlor-1,4-naphthochinon

    18. 2-chloro-1,4-naphthquinone

    19. 4-07-00-02425 (beilstein Handbook Reference)

    20. Schembl917548

    21. Chembl349147

    22. Wln: L66 Bv Evj Cg

    23. 2-chloro-[1,4]naphthoquinone

    24. Dtxsid00143623

    25. 2-chloranylnaphthalene-1,4-dione

    26. Zinc901831

    27. Fd7245

    28. Nsc400597

    29. Akos006343761

    30. Am84303

    31. Gs-3324

    32. Ac-15235

    33. Sy051032

    34. Hy-115243

    35. 2-chloro-1,4-dihydronaphthalene-1,4-dione

    36. Cs-0034824

    37. Ft-0611685

    38. Ft-0695969

    39. C03753

    40. 010c602

    41. A800322

    42. W-108929

    43. Q27103536

    44. 96843-34-4

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 192.60 g/mol
    Molecular Formula C10H5ClO2
    XLogP32.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass191.9978071 g/mol
    Monoisotopic Mass191.9978071 g/mol
    Topological Polar Surface Area34.1 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity293
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1