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    BUILDING BLOCK

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    Chemistry

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    Also known as: 1414356-30-1, 2-fluoro-4-phenoxyphenylboronic acid, Mfcd29047683, (2-fluoro-4-phenoxyphenyl)-boronic acid, Schembl13857858, Pslvpuazlinpdi-uhfffaoysa-n
    Molecular Formula
    C12H10BFO3
    Molecular Weight
    232.02  g/mol
    InChI Key
    PSLVPUAZLINPDI-UHFFFAOYSA-N
    CAS 1414356-30-1
    1 2D Structure

    CAS 1414356-30-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2-fluoro-4-phenoxyphenyl)boronic acid
    2.1.2 InChI
    InChI=1S/C12H10BFO3/c14-12-8-10(6-7-11(12)13(15)16)17-9-4-2-1-3-5-9/h1-8,15-16H
    2.1.3 InChI Key
    PSLVPUAZLINPDI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    B(C1=C(C=C(C=C1)OC2=CC=CC=C2)F)(O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1414356-30-1

    2. 2-fluoro-4-phenoxyphenylboronic Acid

    3. Mfcd29047683

    4. (2-fluoro-4-phenoxyphenyl)-boronic Acid

    5. Schembl13857858

    6. Pslvpuazlinpdi-uhfffaoysa-n

    7. (2-fluoro-4-phenoxyphenyl)boronicacid

    8. (2-fluoro-4-phenoxy-phenyl)boronic Acid

    9. Bs-43258

    10. Sy324089

    11. Cs-0184165

    12. N11810

    13. En300-1654987

    14. A905296

    2.3 Create Date
    2013-03-21
    3 Chemical and Physical Properties
    Molecular Weight 232.02 g/mol
    Molecular Formula C12H10BFO3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area49.7
    Heavy Atom Count17
    Formal Charge0
    Complexity234
    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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