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2D Structure
Also known as: 28314-80-9, Benzoic acid, 2,4,6-trifluoro-, 2,4,6-trifluorobenzoicacid, Mfcd00042398, C7h3f3o2, 2,4,6-trifluorobenzioc acid
Molecular Formula
C7H3F3O2
Molecular Weight
176.09  g/mol
InChI Key
SJZATRRXUILGHH-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2,4,6-trifluorobenzoic acid
2.1.2 InChI
InChI=1S/C7H3F3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)
2.1.3 InChI Key
SJZATRRXUILGHH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=C(C=C(C(=C1F)C(=O)O)F)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 28314-80-9

2. Benzoic Acid, 2,4,6-trifluoro-

3. 2,4,6-trifluorobenzoicacid

4. Mfcd00042398

5. C7h3f3o2

6. 2,4,6-trifluorobenzioc Acid

7. 2.4.6-trifluorbenzoesaeure

8. Schembl288979

9. 2,4,6-triflluorobenzoic Acid

10. Dtxsid50334327

11. 2,4,6-f3c6h2cooh

12. 2,4,6-trifluorobenzoic Acid, 98%

13. Akos000152490

14. Ac-4009

15. Benzoic Acid,2,4,6-trifluoro

16. Cs-w002210

17. Cs-11287

18. Mesoxalicacidmonohydratedisodiumsalt

19. Sy014352

20. Am20040089

21. Ft-0609862

22. T2409

23. En300-67167

24. J-507075

25. Z285150322

26. 2,3-dihydroxy Naphthalene-6-sodium Sulfonate(dihydroxy R Salt)

27. Inchi=1/c7h3f3o2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2h,(h,11,12

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 176.09 g/mol
Molecular Formula C7H3F3O2
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area37.3
Heavy Atom Count12
Formal Charge0
Complexity174
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1