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    Chemistry

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    Also known as: 627463-17-6, 4-bromo-2-fluorostyrene, 4-bromo-1-ethenyl-2-fluorobenzene, Schembl1051454, Dtxsid10586562, 4-bromo-2-fluoro-1-vinyl-benzene
    Molecular Formula
    C8H6BrF
    Molecular Weight
    201.04  g/mol
    InChI Key
    UTDQHQCPWHTKLM-UHFFFAOYSA-N
    CAS 627463-17-6
    1 2D Structure

    CAS 627463-17-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-bromo-1-ethenyl-2-fluorobenzene
    2.1.2 InChI
    InChI=1S/C8H6BrF/c1-2-6-3-4-7(9)5-8(6)10/h2-5H,1H2
    2.1.3 InChI Key
    UTDQHQCPWHTKLM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C=CC1=C(C=C(C=C1)Br)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 627463-17-6

    2. 4-bromo-2-fluorostyrene

    3. 4-bromo-1-ethenyl-2-fluorobenzene

    4. Schembl1051454

    5. Dtxsid10586562

    6. 4-bromo-2-fluoro-1-vinyl-benzene

    7. Mfcd09907860

    8. Zinc71790221

    9. Akos013152968

    10. At36275

    11. Ps-8210

    12. Cs-0454378

    13. A1-09416

    2.3 Create Date
    2007-08-09
    3 Chemical and Physical Properties
    Molecular Weight 201.04 g/mol
    Molecular Formula C8H6BrF
    XLogP33.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass199.96369 g/mol
    Monoisotopic Mass199.96369 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity124
    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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