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    Chemistry

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    Also known as: 5118-13-8, 4-bromo-benzo[b]thiophene, 4-bromo-1-benzothiophene, 4-bromobenzothiophene, Benzo[b]thiophene, 4-bromo-, Mfcd08669544
    Molecular Formula
    C8H5BrS
    Molecular Weight
    213.10  g/mol
    InChI Key
    QPBSEYFVZDMBFW-UHFFFAOYSA-N
    CAS 5118-13-8
    1 2D Structure

    CAS 5118-13-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-bromo-1-benzothiophene
    2.1.2 InChI
    InChI=1S/C8H5BrS/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5H
    2.1.3 InChI Key
    QPBSEYFVZDMBFW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC2=C(C=CS2)C(=C1)Br
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 5118-13-8

    2. 4-bromo-benzo[b]thiophene

    3. 4-bromo-1-benzothiophene

    4. 4-bromobenzothiophene

    5. Benzo[b]thiophene, 4-bromo-

    6. Mfcd08669544

    7. 4-bromo-benzo(b)thiophene

    8. 4-bromobenzo[b]-thiophene

    9. Schembl295451

    10. Dtxsid40477434

    11. Bcp06885

    12. Zinc8700543

    13. Bbl101095

    14. Rb3307

    15. Stl554889

    16. Akos005256733

    17. Am90104

    18. Cs-w019783

    19. Pb20282

    20. Ps-7977

    21. Sy013869

    22. Db-071318

    23. Ft-0696229

    2.3 Create Date
    2007-02-07
    3 Chemical and Physical Properties
    Molecular Weight 213.10 g/mol
    Molecular Formula C8H5BrS
    XLogP33.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass211.92953 g/mol
    Monoisotopic Mass211.92953 g/mol
    Topological Polar Surface Area28.2 Ų
    Heavy Atom Count10
    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

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    Cangzhou Senary Chemical Science-tech ...

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    4-Bromo-benzo[b]thiophene

    CAS Number : 5118-13-8

    End Use API :

    End Use API : Brexpiprazole

    About the Company : Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary located in National Cangzhou Lingang Economic and Technological Development Zone,Cang...

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    4-BROMO-BENZO[B]THIOPHENE

    CAS Number : CAS-5118-13-8

    End Use API :

    End Use API : Brexpiprazole

    About the Company : Jinan Lead Pharmaceutical Technology Co., LTD., located in Jinan, Shandong Province, is mainly engaged in R&D, production and sales of pharmaceutical raw materials and intermediates. Th...

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