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    BUILDING BLOCK

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    Chemistry

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    Also known as: 94569-84-3, Benzaldehyde, 2-bromo-5-fluoro-, Mfcd00142872, 2-bromo-5-fluoro-benzaldehyde, Schembl42391, Dtxsid40378371
    Molecular Formula
    C7H4BrFO
    Molecular Weight
    203.01  g/mol
    InChI Key
    CJUCIKJLMFVWIS-UHFFFAOYSA-N
    CAS 94569-84-3
    1 2D Structure

    CAS 94569-84-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-bromo-5-fluorobenzaldehyde
    2.1.2 InChI
    InChI=1S/C7H4BrFO/c8-7-2-1-6(9)3-5(7)4-10/h1-4H
    2.1.3 InChI Key
    CJUCIKJLMFVWIS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1F)C=O)Br
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 94569-84-3

    2. Benzaldehyde, 2-bromo-5-fluoro-

    3. Mfcd00142872

    4. 2-bromo-5-fluoro-benzaldehyde

    5. Schembl42391

    6. Dtxsid40378371

    7. Act11817

    8. Bcp14475

    9. Zinc2512342

    10. 2-bromo-5-fluorobenzaldehyde, 96%

    11. Akos005259261

    12. Ab03821

    13. Ac-2292

    14. Cs-w001148

    15. Ps-8172

    16. L-2-(bromomethyl)pyrrolidinehydrobromide

    17. Sy002530

    18. Db-006013

    19. Am20050102

    20. B2353

    21. Ft-0601435

    22. J-508367

    23. F1905-7205

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 203.01 g/mol
    Molecular Formula C7H4BrFO
    XLogP32.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass201.94296 g/mol
    Monoisotopic Mass201.94296 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity129
    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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