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    BUILDING BLOCK

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    Chemistry

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    Also known as: 60767-69-3, 686-018-5, C7h5clo4s, Mfcd30717632, 2-chloro-1-formylbenzene-5-sulphonic acid, Schembl867183
    Molecular Formula
    C7H5ClO4S
    Molecular Weight
    220.63  g/mol
    InChI Key
    FKBTZADMCXPVSF-UHFFFAOYSA-N
    CAS 60767-69-3
    1 2D Structure

    CAS 60767-69-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-chloro-3-formylbenzenesulfonic acid
    2.1.2 InChI
    InChI=1S/C7H5ClO4S/c8-7-2-1-6(13(10,11)12)3-5(7)4-9/h1-4H,(H,10,11,12)
    2.1.3 InChI Key
    FKBTZADMCXPVSF-UHFFFAOYSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 60767-69-3

    2. 686-018-5

    3. C7h5clo4s

    4. Mfcd30717632

    5. 2-chloro-1-formylbenzene-5-sulphonic Acid

    6. Schembl867183

    7. 4-chloro-3-formylbenzenesulfonic

    8. Wlz3539

    9. Fkbtzadmcxpvsf-uhfffaoysa-n

    10. 4-chloro-3-formylbenzenesulfonicacid

    11. Akos030632512

    12. 4-chloro-3-formylbenzene-1-sulfonic Acid

    13. Acido-4-cloro-3-formilbenzen-1-solfonico

    14. Ds-20129

    15. Sy316325

    16. Acido 4-cloro-3-formilbenceno-1-sulfonico

    17. Acido-4-cloro-3-formilbenzeno-1-sulfonico

    18. Db-117918

    19. Acide 4-chloro-3-formylbenzene-1-sulfonique

    20. Cs-0160852

    21. C75840

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 220.63 g/mol
    Molecular Formula C7H5ClO4S
    XLogP30.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area79.8
    Heavy Atom Count13
    Formal Charge0
    Complexity281
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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