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    Chemistry

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    Also known as: 917389-23-2, Urea, n-(2-bromo-6-fluorophenyl)-n'-[2-methoxy-5-(trifluoromethyl)phenyl]-, 1-(2-bromo-6-fluorophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea, Schembl379112, Cs-m2409, Akos037650395
    Molecular Formula
    C15H11BrF4N2O2
    Molecular Weight
    407.16  g/mol
    InChI Key
    HYPQVNLUKMOLIV-UHFFFAOYSA-N
    CAS 917389-23-2
    1 2D Structure

    CAS 917389-23-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(2-bromo-6-fluorophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
    2.1.2 InChI
    InChI=1S/C15H11BrF4N2O2/c1-24-12-6-5-8(15(18,19)20)7-11(12)21-14(23)22-13-9(16)3-2-4-10(13)17/h2-7H,1H3,(H2,21,22,23)
    2.1.3 InChI Key
    HYPQVNLUKMOLIV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=C(C=C1)C(F)(F)F)NC(=O)NC2=C(C=CC=C2Br)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 917389-23-2

    2. Urea, N-(2-bromo-6-fluorophenyl)-n'-[2-methoxy-5-(trifluoromethyl)phenyl]-

    3. 1-(2-bromo-6-fluorophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea

    4. Schembl379112

    5. Cs-m2409

    6. Akos037650395

    7. Cs-14744

    8. N-(2-bromo-6-fluorophenyl)-n'-[2-methoxy-5-(trifluoromethyl)phenyl]urea

    9. Urea,n-(2-bromo-6-fluorophenyl)-n'-[2-methoxy-5-(trifluoromethyl)phenyl]-

    2.3 Create Date
    2012-08-19
    3 Chemical and Physical Properties
    Molecular Weight 407.16 g/mol
    Molecular Formula C15H11BrF4N2O2
    XLogP34.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count3
    Exact Mass405.99400 g/mol
    Monoisotopic Mass405.99400 g/mol
    Topological Polar Surface Area50.4 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity438
    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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