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    Technical details about CAS 667403-46-5, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 667403-46-5

    BUILDING BLOCK

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    2D Structure
    Also known as: 667403-46-5, 2-(2,5-dichlorobenzamido)acetic acid, 2-[(2,5-dichlorobenzoyl)amino]acetic acid, Qqh7jvd5tt, Ixazomib metabolite m12, Chembrdg-bb 7959525
    Molecular Formula
    C9H7Cl2NO3
    Molecular Weight
    248.06  g/mol
    InChI Key
    HKUAUZSWGMQPOK-UHFFFAOYSA-N
    FDA UNII
    QQH7JVD5TT
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[(2,5-dichlorobenzoyl)amino]acetic acid
    2.1.2 InChI
    InChI=1S/C9H7Cl2NO3/c10-5-1-2-7(11)6(3-5)9(15)12-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14)
    2.1.3 InChI Key
    HKUAUZSWGMQPOK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1Cl)C(=O)NCC(=O)O)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    QQH7JVD5TT
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 667403-46-5

    2. 2-(2,5-dichlorobenzamido)acetic Acid

    3. 2-[(2,5-dichlorobenzoyl)amino]acetic Acid

    4. Qqh7jvd5tt

    5. Ixazomib Metabolite M12

    6. Chembrdg-bb 7959525

    7. Glycine, N-(2,5-dichlorobenzoyl)-

    8. Mfcd03175234

    9. Ml701201

    10. N-[(2,5-dichlorophenyl)carbonyl]glycine

    11. Unii-qqh7jvd5tt

    12. Schembl8002583

    13. Dtxsid60602726

    14. Amy39521

    15. Zinc6240436

    16. 2-(2,5-dichlorobenzamido)aceticacid

    17. Akos000158964

    18. Ac-29977

    19. As-10002

    20. Sy059075

    21. Db-120739

    22. Cs-0151392

    23. F16321

    24. A856575

    2.4 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 248.06 g/mol
    Molecular Formula C9H7Cl2NO3
    XLogP32.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass246.9802985 g/mol
    Monoisotopic Mass246.9802985 g/mol
    Topological Polar Surface Area66.4 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity260
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1