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    CAS 52314-67-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 52314-67-7, 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride, Cyclopropanecarbonyl chloride, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarbonylchloride, Cypermethric acid chloride, Permethric chloride
    Molecular Formula
    C8H9Cl3O
    Molecular Weight
    227.5  g/mol
    InChI Key
    CHLAOFANYRDCPD-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
    2.1.2 InChI
    InChI=1S/C8H9Cl3O/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3
    2.1.3 InChI Key
    CHLAOFANYRDCPD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1(C(C1C(=O)Cl)C=C(Cl)Cl)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 52314-67-7

    2. 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl Chloride

    3. Cyclopropanecarbonyl Chloride, 3-(2,2-dichloroethenyl)-2,2-dimethyl-

    4. 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarbonylchloride

    5. Cypermethric Acid Chloride

    6. Permethric Chloride

    7. Einecs 257-840-8

    8. Unii-7433eg1zy9

    9. 3-(2,2-dichloroethenyl)-2,2-dmethylcyclopropanecarbonyl Chloride

    10. Schembl8409198

    11. Dtxsid1028027

    12. 7433eg1zy9

    13. 3-(2,2-dichlorovinyl)-2,2-dimethyl-cyclopropanecarbonyl Chloride

    14. Albb-031582

    15. Mfcd00071724

    16. Akos015900508

    17. As-16149

    18. Ft-0652297

    19. 314d677

    20. A829020

    21. 2,2-dimethyl-3-(2,2-dichloroethenyl)cyclopropanecarbonyl Chloride

    22. 2,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropanecarbonyl Chloride

    23. 2,2-dimethyl-3-(dichlorovinyl)-cyclopropanecarboxylic Acid Chloride

    24. 2-(2',2'-dichlorovinyl)-3,3-dimethylcyclopropanecarbonyl Chloride

    25. 2-(2,2-dichlorovinyl)-3,3-dimethylcyclopropanecarbonyl Chloride

    26. 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane Carboxoyl Chloride

    27. 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl Chloride

    28. 2,2-dimethyl-3-(2',2'-dichloro-vinyl)-cyclopropanecarboxylic Acid Chloride

    29. 2,2-dimethyl-3-(2',2'-dichlorovinyl)-cyclopropanecarboxylic Acid Chloride

    30. 2,2-dimethyl-3-(2,2-dichloroethenyl)cyclopropane Carboxylic Acid Chloride

    31. 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic Acid Chloride

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 227.5 g/mol
    Molecular Formula C8H9Cl3O
    XLogP34.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass225.971898 g/mol
    Monoisotopic Mass225.971898 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity241
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1