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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 915095-85-1, (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanone, Schembl2637828, Amy39947, Mfcd12410140, Zinc34775740
    Molecular Formula
    C13H7BrClFO
    Molecular Weight
    313.55  g/mol
    InChI Key
    LVILQFKAGQFQEK-UHFFFAOYSA-N
    (5-bromo-2-chlorophenyl)(4-fluorophenyl)methanone
    1 2D Structure

    (5-bromo-2-chlorophenyl)(4-fluorophenyl)methanone

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanone
    2.1.2 InChI
    InChI=1S/C13H7BrClFO/c14-9-3-6-12(15)11(7-9)13(17)8-1-4-10(16)5-2-8/h1-7H
    2.1.3 InChI Key
    LVILQFKAGQFQEK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C(=O)C2=C(C=CC(=C2)Br)Cl)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 915095-85-1

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

    3. Schembl2637828

    4. Amy39947

    5. Mfcd12410140

    6. Zinc34775740

    7. Akos005831751

    8. Bs-17834

    9. Db-120590

    10. Cs-0162265

    11. D84028

    12. (5-bromo-2-chlorophenyl)(4-fluorophenyl) Methanone

    13. Methanone, (5-bromo-2-chlorophenyl)(4-fluorophenyl)-

    2.3 Create Date
    2007-02-21
    3 Chemical and Physical Properties
    Molecular Weight 313.55 g/mol
    Molecular Formula C13H7BrClFO
    XLogP34.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass311.93528 g/mol
    Monoisotopic Mass311.93528 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity279
    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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