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Overview of CAS 99199-60-7

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4CH-015185
PharmaCompass
  • Chemistry
4CH-015185
Also known as: 99199-60-7, 6-fluorochroman-2-carboxylic acid, 6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxylic acid, 129050-20-0, 2h-1-benzopyran-2-carboxylic acid, 6-fluoro-3,4-dihydro-, Rac-6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxylic acid
Molecular Formula
C10H9FO3
Molecular Weight
196.177  g/mol
InChI Key
ZNJANLXCXMVFFI-UHFFFAOYSA-N

1 2D Structure

4CH-015185

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

4. 129050-20-0

5. 2h-1-benzopyran-2-carboxylic Acid, 6-fluoro-3,4-dihydro-

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

7. Sbb053530

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

9. Acmc-209uzd

10. Acmc-20mt3a

11. Acmc-20mt3b

12. Ksc174g8j

13. 6-fluorochromane-2-carboxylic

14. Schembl908153

15. 2h-1-benzopyran-2-carboxylicacid, 6-fluoro-3,4-dihydro-, (2r)-

16. Jsp001786

17. Schembl13925775

18. 6-fluorochroman-2-carboxylicacid

19. Ctk0h4384

20. 6-fluorochromane-2-carboxylicacid

21. Molport-006-394-165

22. Znjanlxcxmvffi-uhfffaoysa-n

23. Ebd40845

24. Anw-44423

25. Cf-884

26. Mfcd07778357

27. Akos006285655

28. Ab42419

29. Ac-1224

30. Ac-8777

31. An-7702

32. Cs-w018978

33. Fs-2594

34. Mp-0484

35. Rp25428

36. Rtr-030408

37. 6-fluoroisochromanone-2-carboxylic Acid

38. Ks-00000n24

39. Ak-37627

40. An-15116

41. Bc681083

42. He013130

43. He273581

44. Kb-45473

45. Sc-66310

46. Ab0065516

47. Db-002154

48. Kb-199431

49. St2412386

50. Tr-030408

51. 4ch-015185

52. Am20050035

53. F1086

54. Ft-0652129

55. Ft-0655502

56. Z5423

57. 199f607

58. A845979

59. 6-fluoro-3,4-dihydro-2h-chroman-2-carboxylic Acid

60. 6-fluoro-3,4-dihydro-2h-chromen-2-carboxylic Acid

61. I04-1059

62. I14-6153

63. W-204184

64. 6-fluoranyl-3,4-dihydro-2h-chromene-2-carboxylic Acid

65. (2r)-6-fluoro-3,4-dihydro-2h-chromene-2-carboxylic Acid

66. (2s)-6-fluoro-3,4-dihydro-2h-chromene-2-carboxylic Acid

67. 6-fluoro-3,4-dihydro-2h-i-benzopyran-2-carboxylic Acid

2.3 Create Date
2007-02-09
3 Chemical and Physical Properties
Molecular Weight 196.177 g/mol
Molecular Formula C10H9FO3
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass196.054 g/mol
Monoisotopic Mass196.054 g/mol
Topological Polar Surface Area46.5 A^2
Heavy Atom Count14
Formal Charge0
Complexity231
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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