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2D Structure
Also known as: 41604-19-7, 4-bromo-2-fluoro-1,1'-biphenyl, 4-bromo-2-fluoro-1-phenylbenzene, 2-fluoro-4-bromo biphenyl, 1,1'-biphenyl, 4-bromo-2-fluoro-, 4-bromo-2-fluoro biphenyl
Molecular Formula
C12H8BrF
Molecular Weight
251.09  g/mol
InChI Key
HTRNHWBOBYFTQF-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-bromo-2-fluoro-1-phenylbenzene
2.1.2 InChI
InChI=1S/C12H8BrF/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H
2.1.3 InChI Key
HTRNHWBOBYFTQF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)C2=C(C=C(C=C2)Br)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 41604-19-7

2. 4-bromo-2-fluoro-1,1'-biphenyl

3. 4-bromo-2-fluoro-1-phenylbenzene

4. 2-fluoro-4-bromo Biphenyl

5. 1,1'-biphenyl, 4-bromo-2-fluoro-

6. 4-bromo-2-fluoro Biphenyl

7. 4-bromo-2-fluorodiphenyl

8. Einecs 255-453-9

9. Mfcd00051716

10. 2-fluoro-4-bromobiphenyl

11. 4-bromo-2-fluoro-biphenyl

12. 4'-bromo-2'-fluorobiphenyl

13. Schembl538592

14. Htrnhwbobyftqf-uhfffaoysa-

15. Dtxsid00194433

16. 4-bromo-2-fluorobiphenyl, 99%

17. Zinc164588

18. 4-bromo-2-fluoro-1,1'-biphenyl #

19. Akos005064120

20. Ac-6127

21. Cs-w012635

22. Ps-7468

23. Am20060227

24. Ft-0617780

25. 604b197

26. W-106300

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 251.09 g/mol
Molecular Formula C12H8BrF
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass249.97934 g/mol
Monoisotopic Mass249.97934 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count14
Formal Charge0
Complexity177
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1