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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

CAS	 41604-19-7
1 2D Structure

CAS	 41604-19-7

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

BUILDING BLOCK

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