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Overview of CAS 58861-48-6

Client Email Product
4CH-010444
PharmaCompass
4CH-010444
Also known as: 58861-48-6, 2-(4-fluoro-phenyl)-thiophene, 2-(4-fluorophenyl)-thiophene, Thiophene, 2-(4-fluorophenyl)-, Geo-03158, Ak-49954
Molecular Formula
C10H7FS
Molecular Weight
178.224  g/mol
InChI Key
PURJRGMZIKXDMW-UHFFFAOYSA-N

1 2D Structure

4CH-010444

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(4-fluorophenyl)thiophene
2.1.2 InChI
InChI=1S/C10H7FS/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7H
2.1.3 InChI Key
PURJRGMZIKXDMW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CSC(=C1)C2=CC=C(C=C2)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 58861-48-6

2. 2-(4-fluoro-phenyl)-thiophene

3. 2-(4-fluorophenyl)-thiophene

4. Thiophene, 2-(4-fluorophenyl)-

5. Geo-03158

6. Ak-49954

7. 4-fluorophenylthiphene

8. Canagliflozin Intermediate I

9. Schembl154088

10. Thi100

11. Ctk3j7779

12. Ks-00000oqi

13. Dtxsid60619591

14. Molport-000-927-625

15. Purjrgmzikxdmw-uhfffaoysa-n

16. Canagliflozin Related Impurity 14

17. Cs-m2131

18. Zinc8764139

19. Anw-48594

20. Fch854241

21. Mfcd06802535

22. Akos004118865

23. An-2615

24. Ls11696

25. Pb10393

26. Rp23965

27. Tra0016606

28. Vt20066

29. Aj-59238

30. At-24123

31. Bc665967

32. Br-49954

33. Ds-15181

34. Kb-14944

35. Pc408001

36. Ax8212625

37. Db-013907

38. Rt-003999

39. Tl8003763

40. 4ch-010444

41. Bb 0223633

42. F0724

43. Ft-0657107

44. St24021780

45. St51053659

46. W7182

47. S-5635

48. 861f486

49. A832044

50. I09-1374

51. J-505998

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 178.224 g/mol
Molecular Formula C10H7FS
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass178.025 g/mol
Monoisotopic Mass178.025 g/mol
Topological Polar Surface Area28.2 A^2
Heavy Atom Count12
Formal Charge0
Complexity141
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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