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    CAS 99464-83-2

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    CAS 99464-83-2
    Also known as: 99464-83-2, Cyclohexyl 1-chloroethylcarbonate, Carbonic acid 1-chloroethyl cyclohexyl ester, 1-chloroethylcyclohexylcarbonate, Carbonic acid, 1-chloroethyl cyclohexyl ester, 1-chloroethylcyclohexyl carbonate
    Molecular Formula
    C9H15ClO3
    Molecular Weight
    206.66  g/mol
    InChI Key
    ONZWFHWHTYZZLM-UHFFFAOYSA-N
    1 2D Structure

    CAS 99464-83-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-chloroethyl cyclohexyl carbonate
    2.1.2 InChI
    InChI=1S/C9H15ClO3/c1-7(10)12-9(11)13-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
    2.1.3 InChI Key
    ONZWFHWHTYZZLM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(OC(=O)OC1CCCCC1)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 99464-83-2

    2. Cyclohexyl 1-chloroethylcarbonate

    3. Carbonic Acid 1-chloroethyl Cyclohexyl Ester

    4. 1-chloroethylcyclohexylcarbonate

    5. Carbonic Acid, 1-chloroethyl Cyclohexyl Ester

    6. 1-chloroethylcyclohexyl Carbonate

    7. N-boc-2-benzylpiperazine

    8. Ec 444-950-8

    9. Schembl654885

    10. Cyclohexyl 1-chlorethyl Carbonate

    11. Onzwfhwhtyzzlm-uhfffaoysa-

    12. 1-chloroethyl Cyclohexyloxyformate

    13. Dtxsid50459428

    14. Cyclohexyl 1-chloroethyl Carbonate

    15. Chloro-1-ethylcyclohexyl Carbonate

    16. Bcp12276

    17. Mfcd04038149

    18. Alpha-chloroethyl Cyclohexyl Carbonate

    19. Akos015840877

    20. Ab17043

    21. Cs-w015297

    22. S10074

    23. As-12824

    24. 1-cyclohexyloxycarbonyloxy-1-ethyl Chloride

    25. Db-057786

    26. C1786

    27. Ft-0642398

    28. 1-{[(cyclohexyloxy)carbonyl]-oxy}-1-chloroethane

    29. A922731

    30. Carbonic Acid Cyclohexyl Ester 1-chloro-ethyl Ester

    31. J-504528

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 206.66 g/mol
    Molecular Formula C9H15ClO3
    XLogP33.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass206.0709720 g/mol
    Monoisotopic Mass206.0709720 g/mol
    Topological Polar Surface Area35.5 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity166
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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