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    BUILDING BLOCK

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    Chemistry

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    Also known as: Phenyl n-[4-chloro-3-(trifluoromethyl)phenyl]carbamate, 871555-75-8, Phenyl (4-chloro-3-(trifluoromethyl)phenyl)carbamate, Schembl3644038, Akos008914635, Phenyl 4-chloro-3-(trifluoromethyl)phenylcarbamate
    Molecular Formula
    C14H9ClF3NO2
    Molecular Weight
    315.67  g/mol
    InChI Key
    RDNQDSKTTPSVKZ-UHFFFAOYSA-N
    CAS 871555-75-8
    1 2D Structure

    CAS 871555-75-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    phenyl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate
    2.1.2 InChI
    InChI=1S/C14H9ClF3NO2/c15-12-7-6-9(8-11(12)14(16,17)18)19-13(20)21-10-4-2-1-3-5-10/h1-8H,(H,19,20)
    2.1.3 InChI Key
    RDNQDSKTTPSVKZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)OC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Phenyl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate

    2. 871555-75-8

    3. Phenyl (4-chloro-3-(trifluoromethyl)phenyl)carbamate

    4. Schembl3644038

    5. Akos008914635

    6. Phenyl 4-chloro-3-(trifluoromethyl)phenylcarbamate

    7. A1-34302

    8. Phenyl(4-chloro-3-(trifluoromethyl)phenyl)carbamate

    9. 4-chloro-3-(trifluoromethyl)phenylcarbamic Acid Phenyl Ester

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 315.67 g/mol
    Molecular Formula C14H9ClF3NO2
    XLogP35.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass315.0273907 g/mol
    Monoisotopic Mass315.0273907 g/mol
    Topological Polar Surface Area38.3 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity359
    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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