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    Chemistry

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    Also known as: 920509-28-0, 2v3aan3fd2, Schembl2926289, Pfqnekhhafirrv-uhfffaoysa-n, Bs-46471, E74868
    Molecular Formula
    C13H13Cl2N3O2
    Molecular Weight
    314.16  g/mol
    InChI Key
    PFQNEKHHAFIRRV-UHFFFAOYSA-N
    FDA UNII
    2V3AAN3FD2
    CAS 920509-28-0
    1 2D Structure

    CAS 920509-28-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(4-amino-2,6-dichlorophenoxy)-5-propan-2-yl-1H-pyridazin-6-one
    2.1.2 InChI
    InChI=1S/C13H13Cl2N3O2/c1-6(2)8-5-11(17-18-13(8)19)20-12-9(14)3-7(16)4-10(12)15/h3-6H,16H2,1-2H3,(H,18,19)
    2.1.3 InChI Key
    PFQNEKHHAFIRRV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)C1=CC(=NNC1=O)OC2=C(C=C(C=C2Cl)N)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    2V3AAN3FD2
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 920509-28-0

    2. 2v3aan3fd2

    3. Schembl2926289

    4. Pfqnekhhafirrv-uhfffaoysa-n

    5. Bs-46471

    6. E74868

    7. 3-(4-amino-2,6-dichlorophenoxy)-5-propan-2-yl-1h-pyridazin-6-one

    8. 6-(4-amino-2,6-dichloro-phenoxy)-4-isopropyl-2h-pyridazin-3-one

    9. 3(2h)-pyridazinone, 6-(4-amino-2,6-dichlorophenoxy)-4-(1-methylethyl)-

    10. 6-(4-amino-2,6-dichlorophenoxy)-4-(1-methylethyl)-3(2h)-pyridazinone

    2.4 Create Date
    2012-08-20
    3 Chemical and Physical Properties
    Molecular Weight 314.16 g/mol
    Molecular Formula C13H13Cl2N3O2
    XLogP32.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area76.7
    Heavy Atom Count20
    Formal Charge0
    Complexity439
    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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