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    Chemistry

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    Also known as: 56961-75-2, Benzaldehyde, 2,3,5-trichloro-, Schembl189844, Dtxsid3069146, Djyrztclvdkwbl-uhfffaoysa-, Zinc2539407
    Molecular Formula
    C7H3Cl3O
    Molecular Weight
    209.5  g/mol
    InChI Key
    DJYRZTCLVDKWBL-UHFFFAOYSA-N
    CAS 56961-75-2
    1 2D Structure

    CAS 56961-75-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,3,5-trichlorobenzaldehyde
    2.1.2 InChI
    InChI=1S/C7H3Cl3O/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H
    2.1.3 InChI Key
    DJYRZTCLVDKWBL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C=C(C(=C1C=O)Cl)Cl)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 56961-75-2

    2. Benzaldehyde, 2,3,5-trichloro-

    3. Schembl189844

    4. Dtxsid3069146

    5. Djyrztclvdkwbl-uhfffaoysa-

    6. Zinc2539407

    7. 2,3,5-trichlorobenzaldehyde, 98%

    8. Cl8240

    9. Mfcd00010860

    10. Akos005254300

    11. Cs-w021478

    12. Ds-2628

    13. Ac-25650

    14. Db-019675

    15. Ft-0609445

    16. T1182

    17. 3,3-bis(4-chlorophenyl)pyrrolidine-2,5-dione

    18. 961t752

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 209.5 g/mol
    Molecular Formula C7H3Cl3O
    XLogP33.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass207.924948 g/mol
    Monoisotopic Mass207.924948 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity151
    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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