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    Technical details about 6-Chloro-2-Hexanone, learn more about the structure, uses, toxicity, action, side effects and more

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    6-Chloro-2-Hexanone

    PRICE INFORMATION

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    2D Structure
    1. Also known as: 6-chloro-2-hexanone, 10226-30-9, 1-chloro-5-hexanone, 2-hexanone, 6-chloro-, 4-chlorobutyl methyl ketone, 1-chlorohexan-5-one
    Molecular Formula
    C6H11ClO
    Molecular Weight
    134.60  g/mol
    InChI Key
    CMDIDTNMHQUVPE-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-chlorohexan-2-one
    2.1.2 InChI
    InChI=1S/C6H11ClO/c1-6(8)4-2-3-5-7/h2-5H2,1H3
    2.1.3 InChI Key
    CMDIDTNMHQUVPE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)CCCCCl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 6-chloro-2-hexanone

    2. 10226-30-9

    3. 1-chloro-5-hexanone

    4. 2-hexanone, 6-chloro-

    5. 4-chlorobutyl Methyl Ketone

    6. 1-chlorohexan-5-one

    7. Einecs 233-546-5

    8. Mfcd00191625

    9. 1-chloro-hexan-5-one

    10. 6-chloro-hexan-2-one

    11. 6-chloro-2-hexanone, 97%

    12. Schembl1115670

    13. Dtxsid50144847

    14. Albb-025821

    15. Zinc2556912

    16. Akos000121117

    17. Am90172

    18. Cs-w013363

    19. As-57600

    20. Ft-0607634

    21. D89394

    22. 226c309

    23. A800551

    24. A1-01703

    25. W-108879

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 134.60 g/mol
    Molecular Formula C6H11ClO
    XLogP31.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count4
    Exact Mass134.0498427 g/mol
    Monoisotopic Mass134.0498427 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity70.9
    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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