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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 333361-49-2, (5-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanone, Schembl1457144, Dtxsid10624872, Zinc37287663, Akos009476101
    Molecular Formula
    C14H10BrClO2
    Molecular Weight
    325.58  g/mol
    InChI Key
    NIEQZZXEZYUFMQ-UHFFFAOYSA-N
    CAS 333361-49-2
    1 2D Structure

    CAS 333361-49-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (5-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanone
    2.1.2 InChI
    InChI=1S/C14H10BrClO2/c1-18-11-5-2-9(3-6-11)14(17)12-8-10(15)4-7-13(12)16/h2-8H,1H3
    2.1.3 InChI Key
    NIEQZZXEZYUFMQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 333361-49-2

    2. (5-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanone

    3. Schembl1457144

    4. Dtxsid10624872

    5. Zinc37287663

    6. Akos009476101

    7. 5-bromo-2-chloro-4'-methoxybenzophenone

    8. Da-31893

    9. Ft-0736347

    10. (5-bromo-2-chloro-phenyl)-(4-methoxy-phenyl)-methanone

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 325.58 g/mol
    Molecular Formula C14H10BrClO2
    XLogP34.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area26.3
    Heavy Atom Count18
    Formal Charge0
    Complexity290
    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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