CAS 2215-77-2

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37 Related Intermediates

Chemistry

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Also known as: 2215-77-2, P-phenoxybenzoic acid, Benzoic acid, 4-phenoxy-, 4-phenoxy-benzoic acid, Diphenyl ether 4-carboxylic acid, Benzoic acid, p-phenoxy-

Molecular Formula

C₁₃H₁₀O₃

Molecular Weight

214.22 g/mol

InChI Key

RYAQFHLUEMJOMF-UHFFFAOYSA-N

FDA UNII

K7YP1JL5BZ

1 2D Structure

CAS 2215-77-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-phenoxybenzoic acid

2.1.2 InChI

InChI=1S/C13H10O3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H,14,15)

2.1.3 InChI Key

RYAQFHLUEMJOMF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

K7YP1JL5BZ

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-carboxy Biphenylether

2. 4-carboxybiphenyl Ether

3. 4-carboxybiphenyl Ether, Sodium Salt

4. 4-carboxydiphenyl Ether

5. 4cbpe

2.3.2 Depositor-Supplied Synonyms

1. 2215-77-2

2. P-phenoxybenzoic Acid

3. Benzoic Acid, 4-phenoxy-

4. 4-phenoxy-benzoic Acid

5. Diphenyl Ether 4-carboxylic Acid

6. Benzoic Acid, P-phenoxy-

7. 4-carboxydiphenyl Ether

8. 4-carboxybiphenyl Ether

9. P-carboxydiphenyl Ether

10. 4-phenoxy Benzoic Acid

11. 4-phoc6h4cooh

12. Mfcd00002539

13. K7yp1jl5bz

14. 4-phoc6h4co2h

15. Chembl107518

16. Chebi:72632

17. Nsc-246039

18. Einecs 218-682-5

19. Nsc 246039

20. Jo4

21. 4-(phenoxy)benzoic Acid

22. Unii-k7yp1jl5bz

23. 4-(phenyloxy)benzoic Acid

24. Timtec1_000711

25. Oprea1_785025

26. Cbdive_013558

27. 4-phenoxybenzoic Acid, 97%

28. Schembl200428

29. Dtxsid6062258

30. Zinc60939

31. Amy8794

32. Hms1536a07

33. Bcp27317

34. Cs-d1189

35. Ar1892

36. Bdbm50060966

37. Nsc246039

38. Akos000118807

39. Ac-7354

40. Ps-7961

41. Ncgc00175201-01

42. Bp-12516

43. Sy005874

44. Ft-0619369

45. P1256

46. Ae-641/01666029

47. J-014558

48. Brd-k51068875-001-01-0

49. Q27140032

50. F2191-0037

51. P-phenoxybenzoic Acid;benzoic Acid, 4-phenoxy-;diphenyl Ether 4-carboxylic Acid

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₀O₃
Molecular Weight	214.22 g/mol
XLogP3	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	214.062994177 g/mol
Monoisotopic Mass	214.062994177 g/mol
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	225
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1