CAS 41604-19-7

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3 End Use APIs
2 Related Intermediates

Chemistry

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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

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 Formula	C₁₂H₈BrF
Molecular Weight	251.09 g/mol
XLogP3	4.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	249.97934 g/mol
Monoisotopic Mass	249.97934 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	177
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1