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    Chemistry

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    Also known as: 107228-51-3, 3,6-dichloro-4-propan-2-ylpyridazine, Pyridazine, 3,6-dichloro-4-(1-methylethyl)-, Mfcd18250571, Schembl1189830, Jrzdbbcbiqejla-uhfffaoysa-n
    Molecular Formula
    C7H8Cl2N2
    Molecular Weight
    191.05  g/mol
    InChI Key
    JRZDBBCBIQEJLA-UHFFFAOYSA-N
    CAS 107228-51-3
    1 2D Structure

    CAS 107228-51-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3,6-dichloro-4-propan-2-ylpyridazine
    2.1.2 InChI
    InChI=1S/C7H8Cl2N2/c1-4(2)5-3-6(8)10-11-7(5)9/h3-4H,1-2H3
    2.1.3 InChI Key
    JRZDBBCBIQEJLA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)C1=CC(=NN=C1Cl)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 107228-51-3

    2. 3,6-dichloro-4-propan-2-ylpyridazine

    3. Pyridazine, 3,6-dichloro-4-(1-methylethyl)-

    4. Mfcd18250571

    5. Schembl1189830

    6. Jrzdbbcbiqejla-uhfffaoysa-n

    7. 3,6-dichloro-4-isopropyl-pyridazin

    8. 3,6-dichloro-4-isopropyl Pyridazine

    9. 3,6-dichloro-4-isopropyl-pyridazine

    10. Akos017516485

    11. Ab73251

    12. Sb17930

    13. Bs-43144

    14. Sy260999

    15. Cs-0056804

    16. F52597

    2.3 Create Date
    2007-02-09
    3 Chemical and Physical Properties
    Molecular Weight 191.05 g/mol
    Molecular Formula C7H8Cl2N2
    XLogP32.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area25.8
    Heavy Atom Count11
    Formal Charge0
    Complexity130
    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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