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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    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
    CAS 24430-27-1
    1 2D Structure

    CAS 24430-27-1

    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

    BUILDING BLOCK

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