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    1996-30-1 manufacturers and suppliers on PharmaCompass

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    1996-30-1

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    1996-30-1
    Also known as: 1996-30-1, 3-bromo-4-fluorochlorobenzene, 1-bromo-5-chloro-2-fluorobenzene, 3-bromo-1-chloro-4-fluorobenzene, 2-fluoro-5-chlorobromobenzene, Benzene, 2-bromo-4-chloro-1-fluoro-
    Molecular Formula
    C6H3BrClF
    Molecular Weight
    209.44  g/mol
    InChI Key
    YFFUYGSLQXVHMB-UHFFFAOYSA-N
    1 2D Structure

    1996-30-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-bromo-4-chloro-1-fluorobenzene
    2.1.2 InChI
    InChI=1S/C6H3BrClF/c7-5-3-4(8)1-2-6(5)9/h1-3H
    2.1.3 InChI Key
    YFFUYGSLQXVHMB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1Cl)Br)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1996-30-1

    2. 3-bromo-4-fluorochlorobenzene

    3. 1-bromo-5-chloro-2-fluorobenzene

    4. 3-bromo-1-chloro-4-fluorobenzene

    5. 2-fluoro-5-chlorobromobenzene

    6. Benzene, 2-bromo-4-chloro-1-fluoro-

    7. 1-bromo-3-chloro-6-fluorobenzene

    8. 2-bromo-4-chloro-1-fluoro-benzene

    9. 2-bromo-4-chlorofluorobenzene

    10. Mfcd00672934

    11. 5-chloro-2-fluorobromobenzene

    12. Schembl692283

    13. 2-bromo-3'-acetoxyacetophenone

    14. 3-bromo-4-fluoro Chlorobenzene

    15. Chembl2263224

    16. Dtxsid20378319

    17. Yffuygslqxvhmb-uhfffaoysa-n

    18. 4-chloro-2-bromo-1-fluoro-benzene

    19. Akos015853471

    20. Cs-w015146

    21. 2-bromo-4-chloro-1-fluorobenzene, 96%

    22. Ac-23665

    23. As-17842

    24. Sy014711

    25. Db-023803

    26. A4371

    27. Am20060143

    28. B2956

    29. En300-109515

    30. J-508266

    31. 3-bromo-4-fluorochlorobenzene ;3-bromo-1-chloro-4-fluorobenzene;2-bromo-4-fluorochlorobenzene

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 209.44 g/mol
    Molecular Formula C6H3BrClF
    XLogP33.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area0
    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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