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    Methyl 1-(8-chloronaphthalen-1-yl)-3-oxopiperidine-4-carboxylate manufacturers and suppliers on PharmaCompass

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    Chemistry

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    Also known as: 2898538-56-0, Mfcd35150042
    Molecular Formula
    C17H16ClNO3
    Molecular Weight
    317.8  g/mol
    InChI Key
    KJVRGUJPYLMHHX-UHFFFAOYSA-N
    Methyl 1-(8-chloronaphthalen-1-yl)-3-oxopiperidine-4-carboxylate
    1 2D Structure

    Methyl 1-(8-chloronaphthalen-1-yl)-3-oxopiperidine-4-carboxylate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 1-(8-chloronaphthalen-1-yl)-3-oxopiperidine-4-carboxylate
    2.1.2 InChI
    InChI=1S/C17H16ClNO3/c1-22-17(21)12-8-9-19(10-15(12)20)14-7-3-5-11-4-2-6-13(18)16(11)14/h2-7,12H,8-10H2,1H3
    2.1.3 InChI Key
    KJVRGUJPYLMHHX-UHFFFAOYSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 2898538-56-0

    2. Mfcd35150042

    2.3 Create Date
    2024-03-14
    3 Chemical and Physical Properties
    Molecular Weight 317.8 g/mol
    Molecular Formula C17H16ClNO3
    XLogP34
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area46.6
    Heavy Atom Count22
    Formal Charge0
    Complexity442
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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