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    Chemistry

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    Also known as: 114446-57-0, (1r)-2-chloro-1-(2,4-dichlorophenyl)ethan-1-ol, (r)-2-chloro-1-(2,4-dichlorophenyl)ethanol, (r)-2-chloro-1-(2,4-dichlorophenyl)ethan-1-ol, Schembl7460986, Akos032950078
    Molecular Formula
    C8H7Cl3O
    Molecular Weight
    225.5  g/mol
    InChI Key
    XHEPANNURIQWRM-QMMMGPOBSA-N
    CAS 114446-57-0
    1 2D Structure

    CAS 114446-57-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R)-2-chloro-1-(2,4-dichlorophenyl)ethanol
    2.1.2 InChI
    InChI=1S/C8H7Cl3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3,8,12H,4H2/t8-/m0/s1
    2.1.3 InChI Key
    XHEPANNURIQWRM-QMMMGPOBSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1Cl)Cl)C(CCl)O
    2.1.5 Isomeric SMILES
    C1=CC(=C(C=C1Cl)Cl)[C@H](CCl)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. (r)-2-chloro-1-(2,4-dichlorophenyl)ethanol

    2.2.2 Depositor-Supplied Synonyms

    1. 114446-57-0

    2. (1r)-2-chloro-1-(2,4-dichlorophenyl)ethan-1-ol

    3. (r)-2-chloro-1-(2,4-dichlorophenyl)ethanol

    4. (r)-2-chloro-1-(2,4-dichlorophenyl)ethan-1-ol

    5. Schembl7460986

    6. Akos032950078

    7. As-69603

    8. (r)-2,2',4'-trichloro-1-phenylethan-1-ol

    9. En300-87664

    10. (r)-2-chloro-(2',4'-dichlorophenyl)-1-ethanol

    11. (r)-alpha-(chloromethyl)-2,4-dichlorobenzylalcohol

    12. (r)-alpha-(chloromethyl)-2,4-dichlorobenzyl Alcohol

    13. Benzenemethanol, 2,4-dichloro-alpha-(chloromethyl)-, (alphar)-

    2.3 Create Date
    2006-07-29
    3 Chemical and Physical Properties
    Molecular Weight 225.5 g/mol
    Molecular Formula C8H7Cl3O
    XLogP32.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area20.2
    Heavy Atom Count12
    Formal Charge0
    Complexity142
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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