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    CAS 796848-80-1

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    CAS 796848-80-1
    Also known as: 796848-80-1, Phenyl (2-chloro-4-hydroxyphenyl)carbamate, Phenyl 2-chloro-4-hydroxyphenylcarbamate, Carbamic acid, (2-chloro-4-hydroxyphenyl)-, phenyl ester, Schembl1322757, Dtxsid10460979
    Molecular Formula
    C13H10ClNO3
    Molecular Weight
    263.67  g/mol
    InChI Key
    LBDLNHLYEKFAHH-UHFFFAOYSA-N
    1 2D Structure

    CAS 796848-80-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    phenyl N-(2-chloro-4-hydroxyphenyl)carbamate
    2.1.2 InChI
    InChI=1S/C13H10ClNO3/c14-11-8-9(16)6-7-12(11)15-13(17)18-10-4-2-1-3-5-10/h1-8,16H,(H,15,17)
    2.1.3 InChI Key
    LBDLNHLYEKFAHH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)OC(=O)NC2=C(C=C(C=C2)O)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 796848-80-1

    2. Phenyl (2-chloro-4-hydroxyphenyl)carbamate

    3. Phenyl 2-chloro-4-hydroxyphenylcarbamate

    4. Carbamic Acid, (2-chloro-4-hydroxyphenyl)-, Phenyl Ester

    5. Schembl1322757

    6. Dtxsid10460979

    7. Lbdlnhlyekfahh-uhfffaoysa-n

    8. Akos014117348

    9. Ac-33716

    10. Phenyl(2-chloro-4-hydroxyphenyl)carbamate

    11. Cs-0168591

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 263.67 g/mol
    Molecular Formula C13H10ClNO3
    XLogP33.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area58.6
    Heavy Atom Count18
    Formal Charge0
    Complexity281
    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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