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    CAS-17814-85-6

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    2D Structure
    Also known as: 17814-85-6, Phosphonium, (4-carboxybutyl)triphenyl-, bromide, 4-carboxybutyl triphenylphosphonium bromide, 4-carboxybutyl(triphenyl)phosphanium;bromide, Mfcd00011906, 4-(carboxybutyl)triphenylphosphonium bromide
    Molecular Formula
    C23H24BrO2P
    Molecular Weight
    443.3  g/mol
    InChI Key
    MLOSJPZSZWUDSK-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-carboxybutyl(triphenyl)phosphanium;bromide
    2.1.2 InChI
    InChI=1S/C23H23O2P.BrH/c24-23(25)18-10-11-19-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17H,10-11,18-19H2;1H
    2.1.3 InChI Key
    MLOSJPZSZWUDSK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)[P+](CCCCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 17814-85-6

    2. Phosphonium, (4-carboxybutyl)triphenyl-, Bromide

    3. 4-carboxybutyl Triphenylphosphonium Bromide

    4. 4-carboxybutyl(triphenyl)phosphanium;bromide

    5. Mfcd00011906

    6. 4-(carboxybutyl)triphenylphosphonium Bromide

    7. Nsc 147756

    8. Nsc147756

    9. Einecs 241-782-5

    10. (4-carboxybutyl)triphenylphosphoniumbromide

    11. (4-carboxybutyl)-triphenylphosphonium Bromide

    12. Dsstox_cid_31458

    13. Dsstox_rid_97344

    14. (4-carboxy-butyl)-triphenyl-phosphonium; Bromide

    15. Dsstox_gsid_57669

    16. Schembl163452

    17. Chembl3250674

    18. Dtxsid6057669

    19. Phosphonium, (4-carboxybutyl)triphenyl-, Bromide (1:1)

    20. Amy39331

    21. Bcp04324

    22. Cs-b1768

    23. Tox21_113895

    24. Akos015888431

    25. Gc10172

    26. Nsc-147756

    27. Ncgc00261975-01

    28. Ac-29279

    29. As-15678

    30. Sy036108

    31. 4-carboxybutyl-triphenylphosphonium Bromide

    32. 4-carboxybutyl-triphenylphosphonium-bromide

    33. 4-carboxybutyltriphenyl Phosphonium Bromide

    34. 4-carboxybutyltriphenyl-phosphonium Bromide

    35. 4-carboxybutyl(triphenyl)phosphanium,bromide

    36. 4-carboxybutyl-triphenyl-phosphonium Bromide

    37. Cas-17814-85-6

    38. Db-027158

    39. (4-carboxybutyl) Triphenylphosphonium Bromide

    40. (4-carboxybutyl)triphenyl Phosphonium Bromide

    41. (4-carboxybutyl)triphenyl-phosphonium Bromide

    42. Ft-0617958

    43. Ft-0617959

    44. Triphenyl (4-carboxybutyl)phosphonium Bromide

    45. Triphenyl-(4-carboxybutyl)-phosphonium Bromide

    46. (4-carboxy Butyl) Triphenyl Phosphonium Bromide

    47. (4-carboxy-butyl)-triphenyl-phosphonium Bromide

    48. (4-carboxybutyl-[d4])triphenylphosphonium Bromide

    49. 4-hydroxycarbonylbutyl-triphenylphosphonium Bromide

    50. A812343

    51. J-501381

    52. (4-carboxybutyl)triphenylphosphanium Bromide;(4-carboxybutyl)triphenylphosphonium Bromide;5-(triphenylphosphonio)pentanoic Acid Bromide;carboxybutyltriphenylphosphonium Bromide;phosphonium,(4-carboxybutyl)triphenyl-bromide;triphenyl(4-carboxybutyl)phosphonium Bromide

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 443.3 g/mol
    Molecular Formula C23H24BrO2P
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count8
    Exact Mass442.06973 g/mol
    Monoisotopic Mass442.06973 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity372
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2