CAS 99199-60-7

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6 End Use APIs
58 Related Intermediates

Chemistry

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Also known as: 99199-60-7, 6-fluorochroman-2-carboxylic acid, 129050-20-0, 6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxylic acid, 6-fluoro-3,4-dihydro-2h-benzopyran-2-carboxylic acid, Rac-6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxylic acid

Molecular Formula

C₁₀H₉FO₃

Molecular Weight

196.17 g/mol

InChI Key

ZNJANLXCXMVFFI-UHFFFAOYSA-N

1 2D Structure

CAS 99199-60-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid

2.1.2 InChI

InChI=1S/C10H9FO3/c11-7-2-4-8-6(5-7)1-3-9(14-8)10(12)13/h2,4-5,9H,1,3H2,(H,12,13)

2.1.3 InChI Key

ZNJANLXCXMVFFI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC2=C(C=CC(=C2)F)OC1C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 99199-60-7

2. 6-fluorochroman-2-carboxylic Acid

3. 129050-20-0

4. 6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxylic Acid

5. 6-fluoro-3,4-dihydro-2h-benzopyran-2-carboxylic Acid

6. Rac-6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxylic Acid

7. 6-fluoro-3,4-dihydro-2h-chromene-2-carboxylic Acid

8. 2h-1-benzopyran-2-carboxylic Acid, 6-fluoro-3,4-dihydro-

9. Fluorochroman-2-carboxylic Acid

10. Ec 619-405-4

11. (s)-6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxylic Acid

12. Schembl908153

13. (s)-6-fluoro-3,4-dihydro-2h-1-benzopyran-2alpha-carboxylic Acid

14. 6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxyloc Acid

15. Schembl13925775

16. Dtxsid501209426

17. Bcp12984

18. Bcp20239

19. Bbl103477

20. Mfcd07778357

21. Stl557287

22. 6-fluoroisochromane-1-carboxylic Acid

23. Akos006285655

24. Ab42419

25. Ac-1224

26. Ac-8777

27. Cs-w018978

28. Fs-2594

29. Sb47826

30. Db-002154

31. Am20050035

32. F1086

33. Ft-0652129

34. Ft-0655502

35. 199f607

36. A805898

37. A845979

38. 6-fluoro-3,4-dihydro-2h-chroman-2-carboxylic Acid

39. 6-fluoro-3,4-dihydro-2h-chromen-2-carboxylic Acid

40. W-204184

41. 6-fluoro-3,4-dihydro-2h-benzopyran-2-carboxylic Acid;6-fluorochroman-2-carboxylic Acid

2.3 Create Date

2007-02-09

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₉FO₃
Molecular Weight	196.17 g/mol
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	196.05357231 g/mol
Monoisotopic Mass	196.05357231 g/mol
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	231
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1