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    European CDMO and Gx manufacturer with 75 years of experience in delivering premium APIs to pharmaceutical partners worldwide.

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    BUILDING BLOCK

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    Chemistry

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    Also known as: 952664-69-6, Benzenamine, 2-bromo-5-fluoro-4-nitro-, Mfcd22381005, Schembl351739, Amy5702, Dtxsid60726890
    Molecular Formula
    C6H4BrFN2O2
    Molecular Weight
    235.01  g/mol
    InChI Key
    PKDUOURYTVRBLI-UHFFFAOYSA-N
    CAS 952664-69-6
    1 2D Structure

    CAS 952664-69-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-bromo-5-fluoro-4-nitroaniline
    2.1.2 InChI
    InChI=1S/C6H4BrFN2O2/c7-3-1-6(10(11)12)4(8)2-5(3)9/h1-2H,9H2
    2.1.3 InChI Key
    PKDUOURYTVRBLI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C(=CC(=C1F)[N+](=O)[O-])Br)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 952664-69-6

    2. Benzenamine, 2-bromo-5-fluoro-4-nitro-

    3. Mfcd22381005

    4. Schembl351739

    5. Amy5702

    6. Dtxsid60726890

    7. Pkduourytvrbli-uhfffaoysa-n

    8. Cnb66469

    9. Cs-m2007

    10. Akos016013345

    11. Ss-4708

    12. Sy109203

    13. A859108

    2.3 Create Date
    2012-08-08
    3 Chemical and Physical Properties
    Molecular Weight 235.01 g/mol
    Molecular Formula C6H4BrFN2O2
    XLogP31.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area71.8
    Heavy Atom Count12
    Formal Charge0
    Complexity187
    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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