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    Technical details about CAS 656-65-5, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 656-65-5

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    2D Structure
    1. Also known as: 656-65-5, 4-bromo-3-fluorophenylamine, 3-fluoro-4-bromoaniline, 4-bromo-3-fluoro aniline, Benzenamine, 4-bromo-3-fluoro-, 4-bromo-3-fluorobenzenamine
    Molecular Formula
    C6H5BrFN
    Molecular Weight
    190.01  g/mol
    InChI Key
    YTMVYYAKOPIJCZ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-bromo-3-fluoroaniline
    2.1.2 InChI
    InChI=1S/C6H5BrFN/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
    2.1.3 InChI Key
    YTMVYYAKOPIJCZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1N)F)Br
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 656-65-5

    2. 4-bromo-3-fluorophenylamine

    3. 3-fluoro-4-bromoaniline

    4. 4-bromo-3-fluoro Aniline

    5. Benzenamine, 4-bromo-3-fluoro-

    6. 4-bromo-3-fluorobenzenamine

    7. 4-bromo-3-fluro-aniline

    8. 4-bromo-3-fluoro-aniline

    9. 4-bromo-3-fluoro-phenylamine

    10. Schembl110499

    11. 4-bromo-3-fluoroaniline, 97%

    12. Dtxsid00356332

    13. Zinc338968

    14. Act00087

    15. Bcp18515

    16. Mfcd00672933

    17. Akos005258570

    18. Ac-3655

    19. Cs-w008647

    20. Ps-8398

    21. Db-025382

    22. Am20040965

    23. Ft-0612038

    24. En300-84911

    25. Aa-516/30011027

    26. J-514717

    2.3 Create Date
    2005-07-09
    3 Chemical and Physical Properties
    Molecular Weight 190.01 g/mol
    Molecular Formula C6H5BrFN
    XLogP32
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass188.95894 g/mol
    Monoisotopic Mass188.95894 g/mol
    Topological Polar Surface Area26 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity99.1
    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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