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CAS 209995-38-0
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 Weight 190.12 g/mol
Molecular Formula C8H5F3O2
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass190.02416388 g/mol
Monoisotopic Mass190.02416388 g/mol
Topological Polar Surface Area37.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity198
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma intermediates, fine chemicals and pyridine derivatives for the domestic as well as international market. SS Pharma’s research activities extend from the development of active pharmaceuticals to fixed dose formulations for regulated markets. Its manufacturing facilities are state-of-the-art, multipurpose sites that comply with cGMP standards and meet the requirements of the US and EU drug regulatory authorities. SS Pharma is a CGMP, ISO 9001-2008 and ISO 14000:2004 certified company.
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Sitagliptin Phosphate
SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma i...
SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma intermediates, fine chemicals and pyridine derivatives for the domestic as well as international market. SS Pharma’s research activities extend from the development of active pharmaceuticals to fixed dose formulations for regulated markets. Its manufacturing facilities are state-of-the-art, multipurpose sites that comply with cGMP standards and meet the requirements of the US and EU drug regulatory authorities. SS Pharma is a CGMP, ISO 9001-2008 and ISO 14000:2004 certified company.
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Sitagliptin Phosphate
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SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma intermediates, fine chemicals and pyridine derivatives for the domestic as well as international market. SS Pharma’s research activities extend from the development of active pharmaceuticals to fixed dose formulations for regulated markets. Its manufacturing facilities are state-of-the-art, multipurpose sites that comply with cGMP standards and meet the requirements of the US and EU drug regulatory authorities. SS Pharma is a CGMP, ISO 9001-2008 and ISO 14000:2004 certified company.
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Sitagliptin Phosphate
SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma i...
SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma intermediates, fine chemicals and pyridine derivatives for the domestic as well as international market. SS Pharma’s research activities extend from the development of active pharmaceuticals to fixed dose formulations for regulated markets. Its manufacturing facilities are state-of-the-art, multipurpose sites that comply with cGMP standards and meet the requirements of the US and EU drug regulatory authorities. SS Pharma is a CGMP, ISO 9001-2008 and ISO 14000:2004 certified company.
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Sitagliptin Phosphate
SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma i...
SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma intermediates, fine chemicals and pyridine derivatives for the domestic as well as international market. SS Pharma’s research activities extend from the development of active pharmaceuticals to fixed dose formulations for regulated markets. Its manufacturing facilities are state-of-the-art, multipurpose sites that comply with cGMP standards and meet the requirements of the US and EU drug regulatory authorities. SS Pharma is a CGMP, ISO 9001-2008 and ISO 14000:2004 certified company.
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Sitagliptin Phosphate
SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma i...
SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma intermediates, fine chemicals and pyridine derivatives for the domestic as well as international market. SS Pharma’s research activities extend from the development of active pharmaceuticals to fixed dose formulations for regulated markets. Its manufacturing facilities are state-of-the-art, multipurpose sites that comply with cGMP standards and meet the requirements of the US and EU drug regulatory authorities. SS Pharma is a CGMP, ISO 9001-2008 and ISO 14000:2004 certified company.
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