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    4-T-Butyl-4-Chlorobutyrophenone manufacturers and suppliers on PharmaCompass

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    BUILDING BLOCK

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    Chemistry

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    Also known as: Schembl2472690, 4'-t-butyl-4-chlorobutyrophenone
    Molecular Formula
    C14H19ClO
    Molecular Weight
    238.75  g/mol
    InChI Key
    ABPSIXWGEHPSAW-UHFFFAOYSA-N
    4-T-Butyl-4-Chlorobutyrophenone
    1 2D Structure

    4-T-Butyl-4-Chlorobutyrophenone

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-chloro-5,5-dimethyl-1-phenylhexan-1-one
    2.1.2 InChI
    InChI=1S/C14H19ClO/c1-14(2,3)13(15)10-9-12(16)11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3
    2.1.3 InChI Key
    ABPSIXWGEHPSAW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)C(CCC(=O)C1=CC=CC=C1)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Schembl2472690

    2. 4'-t-butyl-4-chlorobutyrophenone

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 238.75 g/mol
    Molecular Formula C14H19ClO
    XLogP34.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count5
    Exact Mass238.1124429 g/mol
    Monoisotopic Mass238.1124429 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity223
    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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