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    Technical details about CAS 872-31-1, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 872-31-1

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    2D Structure
    1. Also known as: 872-31-1, Thiophene, 3-bromo-, 3-thienyl bromide, 3-bromothiofuran, 3-bromo-thiophene, .beta.-bromothiophene
    Molecular Formula
    C4H3BrS
    Molecular Weight
    163.04  g/mol
    InChI Key
    XCMISAPCWHTVNG-UHFFFAOYSA-N
    FDA UNII
    G818Z74YV0
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-bromothiophene
    2.1.2 InChI
    InChI=1S/C4H3BrS/c5-4-1-2-6-3-4/h1-3H
    2.1.3 InChI Key
    XCMISAPCWHTVNG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CSC=C1Br
    2.2 Other Identifiers
    2.2.1 UNII
    G818Z74YV0
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 872-31-1

    2. Thiophene, 3-bromo-

    3. 3-thienyl Bromide

    4. 3-bromothiofuran

    5. 3-bromo-thiophene

    6. .beta.-bromothiophene

    7. 3-bromo Thiophene

    8. Thiophene, 3-bromo-, Homopolymer

    9. G818z74yv0

    10. Nsc-96612

    11. Beta-bromothiophene

    12. 84928-93-8

    13. Einecs 212-821-3

    14. Nsc 96612

    15. 3-bromothiphene

    16. 3-bromthiophene

    17. Nsc96612

    18. Mfcd00005464

    19. 3-bromothiophene, 97%

    20. Schembl7276

    21. Bidd:gt0802

    22. Unii-g818z74yv0

    23. Dtxsid2022129

    24. Act10486

    25. Zinc1626895

    26. Akos005257789

    27. Ac-4899

    28. Am81213

    29. Cs-w009226

    30. Pb48063

    31. Ps-5773

    32. Db-006386

    33. B1067

    34. Ft-0600846

    35. En300-36196

    36. A19254

    37. P20051

    38. Q927001

    39. Q-101190

    40. W-204354

    41. F0001-2168

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 163.04 g/mol
    Molecular Formula C4H3BrS
    XLogP32.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass161.91388 g/mol
    Monoisotopic Mass161.91388 g/mol
    Topological Polar Surface Area28.2 Ų
    Heavy Atom Count6
    Formal Charge0
    Complexity46.8
    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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