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    CAS 42518-98-9
    Also known as: 42518-98-9, 5-chorothiophene-2-carbonyl chloride, 5-chlorothiophene-2-carbonylchloride, 5-chloro-2-thenoyl chloride, 5-chloro-2-thiophenecarbonyl chloride, 5-chloro-thiophene-2-carbonyl chloride
    Molecular Formula
    C5H2Cl2OS
    Molecular Weight
    181.04  g/mol
    InChI Key
    BMPDCQVRKDNUAP-UHFFFAOYSA-N
    FDA UNII
    V8Z66S2CJ3
    1 2D Structure

    CAS 42518-98-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-chlorothiophene-2-carbonyl chloride
    2.1.2 InChI
    InChI=1S/C5H2Cl2OS/c6-4-2-1-3(9-4)5(7)8/h1-2H
    2.1.3 InChI Key
    BMPDCQVRKDNUAP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(SC(=C1)Cl)C(=O)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    V8Z66S2CJ3
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 42518-98-9

    2. 5-chorothiophene-2-carbonyl Chloride

    3. 5-chlorothiophene-2-carbonylchloride

    4. 5-chloro-2-thenoyl Chloride

    5. 5-chloro-2-thiophenecarbonyl Chloride

    6. 5-chloro-thiophene-2-carbonyl Chloride

    7. 2-thiophenecarbonyl Chloride, 5-chloro-

    8. V8z66s2cj3

    9. Unii-v8z66s2cj3

    10. Schembl76028

    11. 5-chlorothiophenecarbonyl Chloride

    12. Dtxsid00343348

    13. 5-chlorothiophene Carbonyl Chloride

    14. Albb-011190

    15. Bcp11850

    16. Cs-d0711

    17. Zinc2168777

    18. 5-chloro-thiophen-carboxylic Chloride

    19. Bbl014852

    20. Mfcd00043886

    21. Stl197261

    22. Akos005173302

    23. 5-chloro Thiophene-2-carbonyl Chloride

    24. Ab01959

    25. 5-chloranylthiophene-2-carbonyl Chloride

    26. 5-chloro-2-thiophenecarbonyl Chloride #

    27. 5-chlorothiophenecarboxylic Acid Chloride

    28. Ac-23924

    29. As-18729

    30. Db-002596

    31. 5-chloro-2-thiophenecarboxylic Acid Chloride

    32. 5-chloro-thiophen-2-carboxylic Acid-chloride

    33. 5-chlorothiophene-2-carboxylic Acid Chloride

    34. Am20090749

    35. Bb 0262879

    36. Ft-0639797

    37. 5-chloro-thiophene-2-carboxylic Acid Chloride

    38. 5-chloro-thiophene-2-carboxylic Acid-chloride

    39. A825922

    40. Q-102522

    41. F2146-0390

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 181.04 g/mol
    Molecular Formula C5H2Cl2OS
    XLogP33.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass179.9203412 g/mol
    Monoisotopic Mass179.9203412 g/mol
    Topological Polar Surface Area45.3 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
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