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    4830-93-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1-chloro-4-phenylbutane, 4-phenylbutyl chloride, Benzene, (4-chlorobutyl)-, Einecs 225-408-8, 4-phenyl-n-butyl chloride, Dtxsid20197486
    Molecular Formula
    C10H13Cl
    Molecular Weight
    168.66  g/mol
    InChI Key
    FLLZCZIHURYEQP-UHFFFAOYSA-N
    FDA UNII
    3S6FMP9C4G
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-chlorobutylbenzene
    2.1.2 InChI
    InChI=1S/C10H13Cl/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
    2.1.3 InChI Key
    FLLZCZIHURYEQP-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    3S6FMP9C4G
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1-chloro-4-phenylbutane

    2. 4-phenylbutyl Chloride

    3. Benzene, (4-chlorobutyl)-

    4. Einecs 225-408-8

    5. 4-phenyl-n-butyl Chloride

    6. Dtxsid20197486

    7. Refchem:69470

    8. Dtxcid30119977

    9. 225-408-8

    10. Fllzczihuryeqp-uhfffaoysa-n

    11. 4830-93-7

    12. 4-chlorobutylbenzene

    13. Mfcd00037117

    14. Phenylbutylchloride

    15. 1-chloro4-phenylbutane

    16. 4-phenyl-1-chlorobutane

    17. 3s6fmp9c4g

    18. Schembl1271432

    19. Schembl4630032

    20. Schembl4630035

    21. Schembl4897344

    22. Schembl5438140

    23. Schembl7367065

    24. 1-chloro-4-phenylbutane, 97%

    25. (3-chloropropyl-1-methyl)benzene

    26. Akos009159224

    27. As-57960

    28. Da-05533

    29. Sy048370

    30. Cs-0128930

    31. Ns00031785

    32. P1389

    33. St50827153

    34. D92122

    35. F620449

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 168.66 g/mol
    Molecular Formula C10H13Cl
    XLogP33.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count4
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area0
    Heavy Atom Count11
    Formal Charge0
    Complexity84.9
    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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