CAS 209995-38-0

Chemistry, 6 End Use API, 50 Related Intermediates

Manufacturers/Suppliers

6 Suppliers

6 Suppliers

Also known as: 209995-38-0, 2-(2,4,5-trifluorophenyl)acetic acid, Benzeneacetic acid, 2,4,5-trifluoro-, (2,4,5-trifluorophenyl)acetic acid, Mfcd00082479, (2,4,5-trifluoro-phenyl)-acetic acid

Molecular Formula

C₈H₅F₃O₂

Molecular Weight

190.12 g/mol

InChI Key

YSQLGGQUQDTBSL-UHFFFAOYSA-N

1 2D Structure

CAS 209995-38-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(2,4,5-trifluorophenyl)acetic acid

2.1.2 InChI

InChI=1S/C8H5F3O2/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,3H,2H2,(H,12,13)

2.1.3 InChI Key

YSQLGGQUQDTBSL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(C(=CC(=C1F)F)F)CC(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 209995-38-0

2. 2-(2,4,5-trifluorophenyl)acetic Acid

3. Benzeneacetic Acid, 2,4,5-trifluoro-

4. (2,4,5-trifluorophenyl)acetic Acid

5. Mfcd00082479

6. (2,4,5-trifluoro-phenyl)-acetic Acid

7. 2,4,5-trifiuorophenylacetic Acid

8. 2,4,5-trifluorophenyl Acetic Acid

9. 2,4,5-trifluorobenzeneacetic Acid

10. 2,4,5-trifluorophenylaceticacid

11. Schembl332576

12. 2-nitro-p-tolyldisulfide

13. Dtxsid50380723

14. 2,4,5-triflurophenyl Acetic Acid

15. Act10954

16. Bcp09111

17. Zinc2572149

18. 2,4,5-(trifluorophenyl)acetic Acid

19. 2,4,5-trifluoro Phenyl Acetic Acid

20. Bbl028164

21. Stl244535

22. (2,4,5-trifluorophenyl)-acetic Acid

23. Akos005063956

24. Ac-2568

25. Ac-9794

26. Cs-w015911

27. 2,4,5-trifluorophenylacetic Acid, 94%

28. 2,4,5-trifluorophenylacetic Acid, 97%

29. As-11010

30. Sy002132

31. Db-019814

32. Am20060026

33. Ft-0643955

34. Ft-0653181

35. T2407

36. A21832

37. 995t380

38. J-505465

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₈H₅F₃O₂
Molecular Weight	190.12 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	190.02416388 g/mol
Monoisotopic Mass	190.02416388 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	198
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