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    Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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    Chemistry

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    Also known as: Zinc21991295, Akos006290079
    Molecular Formula
    C6H2ClF2NO2
    Molecular Weight
    193.53  g/mol
    InChI Key
    SZPPKLFJJFWECJ-UHFFFAOYSA-N
    Carboxylic Acid
    1 2D Structure

    Carboxylic Acid

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-chloro-3,6-difluoropyridine-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C6H2ClF2NO2/c7-2-1-3(8)10-5(4(2)9)6(11)12/h1H,(H,11,12)
    2.1.3 InChI Key
    SZPPKLFJJFWECJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C(=C(N=C1F)C(=O)O)F)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Zinc21991295

    2. Akos006290079

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 193.53 g/mol
    Molecular Formula C6H2ClF2NO2
    XLogP31.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass192.9742123 g/mol
    Monoisotopic Mass192.9742123 g/mol
    Topological Polar Surface Area50.2 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity192
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    API Reference Price

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    01-Jan-2021
    28-Sep-2024
    KGS
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