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    CAS 543-27-1

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 543-27-1, 2-methylpropyl chloroformate, 2-methylpropyl carbonochloridate, Isobutyl chlorocarbonate, Chloroformic acid isobutyl ester, Isobutylchloroformate
    Molecular Formula
    C5H9ClO2
    Molecular Weight
    136.58  g/mol
    InChI Key
    YOETUEMZNOLGDB-UHFFFAOYSA-N
    FDA UNII
    6S785TC0OB
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-methylpropyl carbonochloridate
    2.1.2 InChI
    InChI=1S/C5H9ClO2/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3
    2.1.3 InChI Key
    YOETUEMZNOLGDB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)COC(=O)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    6S785TC0OB
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Chloroformic Acid Isobutyl Ester

    2.3.2 Depositor-Supplied Synonyms

    1. 543-27-1

    2. 2-methylpropyl Chloroformate

    3. 2-methylpropyl Carbonochloridate

    4. Isobutyl Chlorocarbonate

    5. Chloroformic Acid Isobutyl Ester

    6. Isobutylchloroformate

    7. Carbonochloridic Acid, 2-methylpropyl Ester

    8. Isobutyl Carbonochloridate

    9. Chlorocarbonic Acid Isobutyl Ester

    10. Ibcf

    11. Nsc 8429

    12. Isobutyl Chloridocarbonate

    13. 6s785tc0ob

    14. Nsc-8429

    15. Formic Acid, Chloro-, Isobutyl Ester

    16. Mfcd00000642

    17. I-butyl Chloroformate

    18. Unii-6s785tc0ob

    19. Ibuococl

    20. Isobutylchlorformate

    21. Isobutylchoroformate

    22. Clco2ibu

    23. Clcooi-bu

    24. I-buococl

    25. I-butylchloroformate

    26. Isobutlychloroformate

    27. Isobutyichioroformate

    28. Einecs 208-840-1

    29. Isobutyl Chloroformat

    30. Isobutyl Choroformate

    31. Clco2i-bu

    32. Iso-butylchloroformate

    33. Isobutyl Chioroformate

    34. Isobutyl-chloroformate

    35. Isobutylchlorocarbonate

    36. Iso-butyl Chloroformate

    37. Iso-butyl-chloroformate

    38. Isobutyl Chlo-roformate

    39. Isobutyl Chloro-formate

    40. Isobutyl Chloroform Ate

    41. Carbonochloridic Acid 2-methylpropyl Ester

    42. 2-methylpropylchloroformate

    43. Isobutyloxycarbonyl Chloride

    44. Schembl1745

    45. Isobutyl Chloroformate, 98%

    46. 2-methylpropyl Chlorocarbonate

    47. Chloroformic Acid Isobutylester

    48. Chloroformic Acid-isobutylester

    49. 2-methylpropoxycarbonyl Chloride

    50. Chloroformic Acid Isobutyl-ester

    51. 2-methylpropyloxycarbonylchloride

    52. Dtxsid8052194

    53. Chloroformic Acid Iso-butyl Ester

    54. Nsc8429

    55. Zinc388452

    56. Bbl011424

    57. Isobutyl Chlorocarbonate [mi]

    58. Stl146531

    59. Akos000121338

    60. Sb40458

    61. Bp-31022

    62. Vs-02945

    63. Db-002758

    64. A7899

    65. Ft-0627353

    66. Isobutyl Chloroformate [na2742] [poison]

    67. En300-17639

    68. Isobutyl Chloroformate, Purum, >=98.0% (gc)

    69. Q27265420

    70. F0001-1428

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 136.58 g/mol
    Molecular Formula C5H9ClO2
    XLogP32.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area26.3
    Heavy Atom Count8
    Formal Charge0
    Complexity80.5
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1