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    Methyl 4-(difluoromethoxy)-3-hydroxybenzoate manufacturers and suppliers on PharmaCompass

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    Methyl 4-(difluoromethoxy)-3-hydroxybenzoate

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    Methyl 4-(difluoromethoxy)-3-hydroxybenzoate
    Also known as: 1159429-52-3, Benzoic acid, 4-(difluoromethoxy)-3-hydroxy-, methyl ester, Schembl2910822, Mfcd24728664, Akos025401868, Ac-26561
    Molecular Formula
    C9H8F2O4
    Molecular Weight
    218.15  g/mol
    InChI Key
    SJYHAEKKPKGTPG-UHFFFAOYSA-N
    1 2D Structure

    Methyl 4-(difluoromethoxy)-3-hydroxybenzoate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 4-(difluoromethoxy)-3-hydroxybenzoate
    2.1.2 InChI
    InChI=1S/C9H8F2O4/c1-14-8(13)5-2-3-7(6(12)4-5)15-9(10)11/h2-4,9,12H,1H3
    2.1.3 InChI Key
    SJYHAEKKPKGTPG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC(=O)C1=CC(=C(C=C1)OC(F)F)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1159429-52-3

    2. Benzoic Acid, 4-(difluoromethoxy)-3-hydroxy-, Methyl Ester

    3. Schembl2910822

    4. Mfcd24728664

    5. Akos025401868

    6. Ac-26561

    7. Cs-16588

    8. Methyl4-(difluoromethoxy)-3-hydroxybenzoate

    9. Cs-0101067

    10. D76144

    11. 3-hydroxy-4-(difluoromethoxy)-benzoic Acid Methyl Ester

    2.3 Create Date
    2012-04-02
    3 Chemical and Physical Properties
    Molecular Weight 218.15 g/mol
    Molecular Formula C9H8F2O4
    XLogP32.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count4
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area55.8
    Heavy Atom Count15
    Formal Charge0
    Complexity222
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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