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Overview of CAS 1030825-20-7

Client Email Product
4CH-021688
PharmaCompass
4CH-021688
Also known as: 1030825-20-7, 2-(5-bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene, 2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)thiophene, Thiophene, 2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)-, Ak101613, 2-(4-fluorophenyl)-5-[(5-bromo-2-methylphenyl)methyl]thiophene
Molecular Formula
C18H14BrFS
Molecular Weight
361.272  g/mol
InChI Key
VLRIERSBZHUCOW-UHFFFAOYSA-N

1 2D Structure

4CH-021688

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)thiophene
2.1.2 InChI
InChI=1S/C18H14BrFS/c1-12-2-5-15(19)10-14(12)11-17-8-9-18(21-17)13-3-6-16(20)7-4-13/h2-10H,11H2,1H3
2.1.3 InChI Key
VLRIERSBZHUCOW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C=C(C=C1)Br)CC2=CC=C(S2)C3=CC=C(C=C3)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1030825-20-7

2. 2-(5-bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene

3. 2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)thiophene

4. Thiophene, 2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)-

5. Ak101613

6. 2-(4-fluorophenyl)-5-[(5-bromo-2-methylphenyl)methyl]thiophene

7. A1-00243

8. 2-(5-bromo-2-methylbenzyl)-5-(4-fluorophenyl]thiophene

9. 2-((5-bromo-2-methylphenyl)methyl)-5-(4-fluorophenyl)thiophene

10. C18h14brfs

11. Canagliflozin Intermediate Ii

12. Schembl154701

13. Thi043

14. Thi064

15. Ctk8b9643

16. Dtxsid10677368

17. Molport-023-331-823

18. Cs-m1889

19. Anw-62836

20. Mfcd21496340

21. Zinc71973419

22. Akos016004335

23. Acn-028594

24. As06217

25. Cm13888

26. Qc-2696

27. Ac-26308

28. As-20009

29. Bc600262

30. He128644

31. Pc448035

32. Ab0095332

33. Aj-118995

34. Ax8233152

35. Kb-223325

36. Tc-151581

37. 4ch-021688

38. Ft-0697204

39. St24039490

40. Z3521

41. 2-(5-bromo-methyl Benzyl)-5-(4-fluorophenyl)thiophene

2.3 Create Date
2010-11-01
3 Chemical and Physical Properties
Molecular Weight 361.272 g/mol
Molecular Formula C18H14BrFS
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass359.998 g/mol
Monoisotopic Mass359.998 g/mol
Topological Polar Surface Area28.2 A^2
Heavy Atom Count21
Formal Charge0
Complexity329
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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