CAS 35480-52-5

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4 End Use APIs
1 Related Intermediates

Chemistry

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Also known as: 35480-52-5, 2,5-bis(trifluoroethoxy)benzoic acid, Benzoic acid, 2,5-bis(2,2,2-trifluoroethoxy)-, Id4jp01l3w, Mfcd00221424, 2,5-di(2,2,2-trifluoroethoxy)benzoic acid

Molecular Formula

C₁₁H₈F₆O₄

Molecular Weight

318.17 g/mol

InChI Key

YPGYLCZBZKRYQJ-UHFFFAOYSA-N

FDA UNII

ID4JP01L3W

1 2D Structure

CAS 35480-52-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,5-bis(2,2,2-trifluoroethoxy)benzoic acid

2.1.2 InChI

InChI=1S/C11H8F6O4/c12-10(13,14)4-20-6-1-2-8(7(3-6)9(18)19)21-5-11(15,16)17/h1-3H,4-5H2,(H,18,19)

2.1.3 InChI Key

YPGYLCZBZKRYQJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1OCC(F)(F)F)C(=O)O)OCC(F)(F)F

2.2 Other Identifiers

2.2.1 UNII

ID4JP01L3W

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 35480-52-5

2. 2,5-bis(trifluoroethoxy)benzoic Acid

3. Benzoic Acid, 2,5-bis(2,2,2-trifluoroethoxy)-

4. Id4jp01l3w

5. Mfcd00221424

6. 2,5-di(2,2,2-trifluoroethoxy)benzoic Acid

7. Flecainide Acid

8. Flecainide Impurity D

9. 2,5-bis(2,2,2-trifluoroethoxy)benzoicacid

10. Unii-id4jp01l3w

11. Ec 609-132-9

12. Schembl978291

13. Dtxsid50371111

14. Zinc156160

15. Act11932

16. Amy18282

17. Cs-m0605

18. Akos015852999

19. Flecainide Acid [usp Impurity]

20. Ac-3902

21. Ps-7060

22. Sy017998

23. Db-020015

24. 2,5-bis(2,2,2-trifluorethoxy)benzoic Acid

25. Ft-0639262

26. 2,5-di-(2,2,2-trifluoroethoxy)benzoic Acid

27. En300-76845

28. 2,5-bis (2,2,2-trifluoroethoxy)benzoic Acid

29. A19961

30. 480b525

31. Q-100990

32. 2,5-bis(2,2,2-trifluoroethoxy)benzoic Acid, Aldrichcpr

33. Z1777729343

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₈F₆O₄
Molecular Weight	318.17 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Exact Mass	318.03267770 g/mol
Monoisotopic Mass	318.03267770 g/mol
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	354
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