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    3-2-Chlorophenyl-5-Methylisoxazole-4-Carbonyl Chloride

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 25629-50-9, 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride, 4-isoxazolecarbonyl chloride, 3-(2-chlorophenyl)-5-methyl-, Nsc 81237, 3-(2-chlorophenyl)-5-methylisoxazole-4-carbonylchloride, 3-(o-chlorophenyl)-5-methyl-4-isoxazole carbonylchloride
    Molecular Formula
    C11H7Cl2NO2
    Molecular Weight
    256.08  g/mol
    InChI Key
    BPDBLWKFVXHGFT-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride
    2.1.2 InChI
    InChI=1S/C11H7Cl2NO2/c1-6-9(11(13)15)10(14-16-6)7-4-2-3-5-8(7)12/h2-5H,1H3
    2.1.3 InChI Key
    BPDBLWKFVXHGFT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 25629-50-9

    2. 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl Chloride

    3. 4-isoxazolecarbonyl Chloride, 3-(2-chlorophenyl)-5-methyl-

    4. Nsc 81237

    5. 3-(2-chlorophenyl)-5-methylisoxazole-4-carbonylchloride

    6. 3-(o-chlorophenyl)-5-methyl-4-isoxazole Carbonylchloride

    7. 4-isoxazolecarbonyl Chloride, 3-(o-chlorophenyl)-5-methyl-

    8. 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarbonyl Chloride

    9. Cimic Chloride

    10. Nsc81237

    11. Einecs 247-137-4

    12. Schembl315858

    13. Dtxsid60865238

    14. Albb-021303

    15. Zinc1574328

    16. Bbl027862

    17. Mfcd00020811

    18. Nsc-81237

    19. Stl382081

    20. Akos009031100

    21. Ncgc00253746-01

    22. As-12221

    23. Bp-10168

    24. Db-046741

    25. Ft-0613545

    26. A817931

    27. Sr-01000945031

    28. Sr-01000945031-1

    29. W-107231

    30. F2190-0126

    31. 3-(2-?hlorophenyl)-5-methylisoxazole-4-carbonyl Chloride

    32. 3-(o-chlorophenyl)-5-methylisoxazole-4-carbonyl Chloride

    33. 3-(2-chlorophenyl)-5-methyl-3-phenyl-4-chlorocarbonyl Isoxazole

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 256.08 g/mol
    Molecular Formula C11H7Cl2NO2
    XLogP33.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass254.9853839 g/mol
    Monoisotopic Mass254.9853839 g/mol
    Topological Polar Surface Area43.1 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity275
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1