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    (2-Ethoxy-1-methyl-2-oxoethyl)triphenylphosphonium bromide

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 30018-16-7, 1-(ethoxycarbonyl)ethyltriphenylphosphonium bromide, [1-(ethoxycarbonyl)ethyl]triphenylphosphonium bromide, 1-carbethoxyethyl triphenylphosphonium bromide, (2-ethoxy-1-methyl-2-oxoethyl)triphenylphosphonium bromide, (1-ethoxycarbonylethyl)triphenylphosphonium bromide
    Molecular Formula
    C23H24BrO2P
    Molecular Weight
    443.3  g/mol
    InChI Key
    RSYXORMKBUFAMS-UHFFFAOYSA-M
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1-ethoxy-1-oxopropan-2-yl)-triphenylphosphanium;bromide
    2.1.2 InChI
    InChI=1S/C23H24O2P.BrH/c1-3-25-23(24)19(2)26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-19H,3H2,1-2H3;1H/q+1;/p-1
    2.1.3 InChI Key
    RSYXORMKBUFAMS-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    CCOC(=O)C(C)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 30018-16-7

    2. 1-(ethoxycarbonyl)ethyltriphenylphosphonium Bromide

    3. [1-(ethoxycarbonyl)ethyl]triphenylphosphonium Bromide

    4. 1-carbethoxyethyl Triphenylphosphonium Bromide

    5. (2-ethoxy-1-methyl-2-oxoethyl)triphenylphosphonium Bromide

    6. (1-ethoxycarbonylethyl)triphenylphosphonium Bromide

    7. (1-ethoxy-1-oxopropan-2-yl)-triphenylphosphanium;bromide

    8. Phosphonium, (2-ethoxy-1-methyl-2-oxoethyl)triphenyl-, Bromide

    9. Einecs 250-002-2

    10. Ec 250-002-2

    11. Schembl10047

    12. (1-(ethoxycatbonyl)ethyl)triphenylphosphonium Bromide

    13. (1-ethoxy-1-oxopropan-2-yl)-triphenylphosphanium,bromide

    14. Dtxsid90952428

    15. Amy39337

    16. Bcp21873

    17. Mfcd00031605

    18. Akos016003113

    19. Gc10177

    20. Cs-0009890

    21. E1300

    22. Ft-0605818

    23. A820146

    24. Q-200007

    25. (1-ethoxy-1-oxopropan-2-yl)triphenylphosphoniumbromide

    26. (1-ethoxy-1-oxopropan-2-yl)(triphenyl)phosphanium Bromide

    27. (1-ethoxy-1-oxopropan-2-yl)triphenyl-phosphonium Bromide

    28. (1-ethoxycarbonylethyl)triphenylphosphonium Bromide 96%

    2.3 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 443.3 g/mol
    Molecular Formula C23H24BrO2P
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count7
    Exact Mass442.06973 g/mol
    Monoisotopic Mass442.06973 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity386
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2