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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

CAS 17814-85-6
1 2D Structure

CAS 17814-85-6

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

BUILDING BLOCK

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