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    Technical details about 24430-27-1, learn more about the structure, uses, toxicity, action, side effects and more

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    24430-27-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 24430-27-1, Thiophene, 3-bromo-2-nitro-, Mfcd04971288, 3-bromo-2-nitro thiophene, 2-nitro-3-bromothiophene, Thiophene,3-bromo-2-nitro-
    Molecular Formula
    C4H2BrNO2S
    Molecular Weight
    208.04  g/mol
    InChI Key
    UYIHKIRPUMUUJX-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-bromo-2-nitrothiophene
    2.1.2 InChI
    InChI=1S/C4H2BrNO2S/c5-3-1-2-9-4(3)6(7)8/h1-2H
    2.1.3 InChI Key
    UYIHKIRPUMUUJX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CSC(=C1Br)[N+](=O)[O-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 24430-27-1

    2. Thiophene, 3-bromo-2-nitro-

    3. Mfcd04971288

    4. 3-bromo-2-nitro Thiophene

    5. 2-nitro-3-bromothiophene

    6. Thiophene,3-bromo-2-nitro-

    7. Schembl4582355

    8. Dtxsid40360913

    9. Zinc967480

    10. Bcp27038

    11. Am9775

    12. Akos000280797

    13. Cs-w021858

    14. Wt82305

    15. Ds-18656

    16. Sy043196

    17. Db-000887

    18. A5033

    19. Ft-0715898

    20. En300-36967

    21. F15010

    22. Ai-472/32219036

    23. J-511891

    24. F2167-0047

    2.3 Create Date
    2005-07-10
    3 Chemical and Physical Properties
    Molecular Weight 208.04 g/mol
    Molecular Formula C4H2BrNO2S
    XLogP32.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass206.89896 g/mol
    Monoisotopic Mass206.89896 g/mol
    Topological Polar Surface Area74.1 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity126
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1