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    Chemistry

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    Also known as: 84449-81-0, 4-(2-(1-piperidino)ethoxy)benzoic acid hcl, Schembl226627, Whkjlxlfqnxnnr-uhfffaoysa-n, Benzoyl chloride, 4-[2-(1-piperidinyl)ethoxy]-, hydrochloride, Mfcd03425388
    Molecular Formula
    C14H19Cl2NO2
    Molecular Weight
    304.2  g/mol
    InChI Key
    WHKJLXLFQNXNNR-UHFFFAOYSA-N
    CAS 84449-81-0
    1 2D Structure

    CAS 84449-81-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(2-piperidin-1-ylethoxy)benzoyl chloride;hydrochloride
    2.1.2 InChI
    InChI=1S/C14H18ClNO2.ClH/c15-14(17)12-4-6-13(7-5-12)18-11-10-16-8-2-1-3-9-16;/h4-7H,1-3,8-11H2;1H
    2.1.3 InChI Key
    WHKJLXLFQNXNNR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)Cl.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 84449-81-0

    2. 4-(2-(1-piperidino)ethoxy)benzoic Acid Hcl

    3. Schembl226627

    4. Whkjlxlfqnxnnr-uhfffaoysa-n

    5. Benzoyl Chloride, 4-[2-(1-piperidinyl)ethoxy]-, Hydrochloride

    6. Mfcd03425388

    7. Mfcd09907602

    8. At22331

    9. Sy308933

    10. 4-(2-piperidinoethoxy)benzoyl Chloride, Hydrochloride

    11. 4-(2-piperidin-1-ylethoxy)benzoyl Chloride;hydrochloride

    12. 4-[2-(1-piperidyl)ethoxy]benzoyl Chloride Hydrochloride

    13. 4-(2-piperidin-1-yl-ethoxy)-benzoyl Chloride Hydrochloride

    14. 4-(2-piperidine-1-ylethoxy)benzoyl Chloride Hydrochloride

    15. 4-(2-(piperidin-1-yl)ethoxy)benzoyl Chloride Hydrochloride

    2.3 Create Date
    2007-06-18
    3 Chemical and Physical Properties
    Molecular Weight 304.2 g/mol
    Molecular Formula C14H19Cl2NO2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count5
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area29.5
    Heavy Atom Count19
    Formal Charge0
    Complexity259
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

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