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Also known as: 1030825-20-7, 2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)thiophene, W76hxe3gl5, 2-(4-fluorophenyl)-5-[(5-bromo-2-methylphenyl)methyl]thiophene, Mfcd21496340, 2-(5-bromo-2-methylbenzyl)-5-(4-fluorophenyl]thiophene
Molecular Formula
C18H14BrFS
Molecular Weight
361.3  g/mol
InChI Key
VLRIERSBZHUCOW-UHFFFAOYSA-N
FDA UNII
W76HXE3GL5

CAS 1030825-20-7
1 2D Structure

CAS 1030825-20-7

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 Other Identifiers
2.2.1 UNII
W76HXE3GL5
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1030825-20-7

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

3. W76hxe3gl5

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

5. Mfcd21496340

6. 2-(5-bromo-2-methylbenzyl)-5-(4-fluorophenyl]thiophene

7. 2-((5-bromo-2-methylphenyl)methyl)-5-(4-fluorophenyl)thiophene

8. 2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)-thiophene

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

10. Canagliflozin Intermediates

11. Unii-w76hxe3gl5

12. Schembl154701

13. Amy4161

14. Dtxsid10677368

15. Bcp07730

16. Cs-m1889

17. Bbl103020

18. Stl556829

19. Zinc71973419

20. Akos016004335

21. Ac-26308

22. As-20009

23. Da-28029

24. Sy112941

25. B5335

26. Ft-0697204

27. A852065

28. A1-00243

29. 2-(5-bromo-2-methylbenzyl)-5-(4-fluorphenyl)-thiophene

30. 2-[(5-bromo-2-methyl-phenyl)methyl]-5-(4-fluorophenyl)thiophene

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

32. 2-(5-bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene;2-(5-bromo-2-methylbenzyl)-5-(4-fluorophenyl]thiophene

2.4 Create Date
2010-11-01
3 Chemical and Physical Properties
Molecular Weight 361.3 g/mol
Molecular Formula C18H14BrFS
XLogP36.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass359.99836 g/mol
Monoisotopic Mass359.99836 g/mol
Topological Polar Surface Area28.2 Ų
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

BUILDING BLOCK

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