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    Chemistry

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    Also known as: 2156-56-1, Sodium 2,2-dichloroacetate, Dichloroacetic acid sodium salt, Ceresine, Dichloroacetate sodium, Acetic acid, dichloro-, sodium salt
    Molecular Formula
    C2HCl2NaO2
    Molecular Weight
    150.92  g/mol
    InChI Key
    LUPNKHXLFSSUGS-UHFFFAOYSA-M
    FDA UNII
    42932X67B5
    Dichloroacetic Acid
    A derivative of ACETIC ACID that contains two CHLORINE atoms attached to its methyl group.
    1 2D Structure

    Dichloroacetic Acid

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;2,2-dichloroacetate
    2.1.2 InChI
    InChI=1S/C2H2Cl2O2.Na/c3-1(4)2(5)6;/h1H,(H,5,6);/q;+1/p-1
    2.1.3 InChI Key
    LUPNKHXLFSSUGS-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    C(C(=O)[O-])(Cl)Cl.[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    42932X67B5
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Acid, Bichloroacetic

    2. Acid, Dichloroacetic

    3. Bichloroacetic Acid

    4. Dichloroacetate, Potassium

    5. Dichloroacetate, Sodium

    6. Dichloroacetic Acid

    7. Potassium Dichloroacetate

    2.3.2 Depositor-Supplied Synonyms

    1. 2156-56-1

    2. Sodium 2,2-dichloroacetate

    3. Dichloroacetic Acid Sodium Salt

    4. Ceresine

    5. Dichloroacetate Sodium

    6. Acetic Acid, Dichloro-, Sodium Salt

    7. Dca Sodium

    8. Cpc-211

    9. Dca

    10. Sodium Dichloroacetate [usan]

    11. Bichloroacetic Acid

    12. Cmi X-11s

    13. Sodium Dichloroacetate (dca)

    14. Nsc-744479

    15. Ncgc00167845-01

    16. 42932x67b5

    17. Dsstox_cid_17207

    18. Dsstox_rid_79307

    19. Dsstox_gsid_37207

    20. Sodium Dichloroacetate (usan)

    21. Cas-2156-56-1

    22. Mfcd00070489

    23. Dichloroctan Sodny [czech]

    24. Sodium,2,2-dichloroacetate

    25. Cpc 211

    26. Ccris 7697

    27. Dichloroacetic Acid, Sodium Salt

    28. Dichloroctan Sodny

    29. Ceresine (tn)

    30. Einecs 218-461-3

    31. Sodium?dichloroacetate

    32. Dichloroacetate Sodium Salt

    33. Schembl105849

    34. Chembl306823

    35. Dtxsid8037207

    36. Hy-y0445a

    37. Hms3269p21

    38. Hms3413f08

    39. Hms3677f08

    40. Hms3867g13

    41. Unii-42932x67b5

    42. Amy37987

    43. Tox21_113573

    44. Tox21_301394

    45. Bdbm50177027

    46. S8615

    47. Akos015833467

    48. Sodium Dichloroacetate [mart.]

    49. Ccg-266211

    50. Nsc 744479

    51. Ncgc00255419-01

    52. As-58721

    53. B7174

    54. Cs-0030662

    55. D1048

    56. D1719

    57. Ft-0624702

    58. D05857

    59. F12025

    60. 3-(1,3-benzothiazol-2-yl)propanoicacid

    61. A815488

    62. J-014151

    63. Q27258517

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 150.92 g/mol
    Molecular Formula C2HCl2NaO2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass149.9251289 g/mol
    Monoisotopic Mass149.9251289 g/mol
    Topological Polar Surface Area40.1 Ų
    Heavy Atom Count7
    Formal Charge0
    Complexity64.7
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

    API Reference Price

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    24-Mar-2021
    25-Oct-2024
    KGS
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