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    CAS 24065-33-6

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 24065-33-6, 5-chloro-2-thiophenecarboxylic acid, 2-thiophenecarboxylic acid, 5-chloro-, Mfcd00041426, Xv5src3pj3, 5-chloro thiophene-2-carboxylic acid
    Molecular Formula
    C5H3ClO2S
    Molecular Weight
    162.59  g/mol
    InChI Key
    QZLSBOVWPHXCLT-UHFFFAOYSA-N
    FDA UNII
    XV5SRC3PJ3
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-chlorothiophene-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C5H3ClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)
    2.1.3 InChI Key
    QZLSBOVWPHXCLT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(SC(=C1)Cl)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    XV5SRC3PJ3
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 24065-33-6

    2. 5-chloro-2-thiophenecarboxylic Acid

    3. 2-thiophenecarboxylic Acid, 5-chloro-

    4. Mfcd00041426

    5. Xv5src3pj3

    6. 5-chloro Thiophene-2-carboxylic Acid

    7. Chembl4280438

    8. 5-chloro-2-thiophene Carboxylic Acid

    9. Nsc-14776

    10. Nsc 14776

    11. Brn 0118361

    12. Ai3-61740

    13. 5-chlorothiophene-2-carboxylicacid

    14. Nsc14776

    15. Rivaroxaban Impurity C

    16. Maybridge3_003717

    17. Unii-xv5src3pj3

    18. Rivaroxaban Related Compound

    19. Schembl77196

    20. 5-18-06-00177 (beilstein Handbook Reference)

    21. 5-chlorothiophenecarboxylic Acid

    22. Rivaroxaban Ctca Impurity

    23. Dtxsid10178800

    24. 5-chloro-2-thiophenecarboxylicacid

    25. Hms1441i21

    26. Zinc125451

    27. 5-chloro-2-thiophencarboxylic Acid

    28. 5-chlorthiophene-2-carboxylic Acid

    29. 2-chloro-5-carboxythiophene

    30. 2-chloro-5-thiophenecarboxylic Acid

    31. Act02298

    32. Albb-000787

    33. Bcp05839

    34. Cs-m1254

    35. Str03101

    36. 5-chloro Thiophen-2-carboxylic Acid

    37. 5-chloro-thiophen-2-carboxylic Acid

    38. 5-chlorothiophene 2-carboxylic Acid

    39. Bbl037515

    40. Bdbm50467736

    41. Geo-00807

    42. Stk502364

    43. 5-chloro-2-thiophene-carboxylic Acid

    44. 5-chloranylthiophene-2-carboxylic Acid

    45. Akos000278212

    46. Fs-1378

    47. Pb12047

    48. Idi1_015104

    49. Ac-25302

    50. Sy001039

    51. 5-chlorothiophen-2-carboxylic Acid

    52. 5-chlorothiophene-2-carboxylic Acid, 97%

    53. Db-013063

    54. A4985

    55. Am20090264

    56. C1230

    57. Ft-0620284

    58. Rivaroxaban Impurity F [ep Impurity]

    59. W-200249

    60. F2182-0126

    61. 5-chlorothiophene-2-carboxylic Acid; 2-chloro-5-carboxythiophene; 5-chloro-2-thenoic Acid

    62. 9e9

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 162.59 g/mol
    Molecular Formula C5H3ClO2S
    XLogP32.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass161.9542282 g/mol
    Monoisotopic Mass161.9542282 g/mol
    Topological Polar Surface Area65.5 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity128
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1