1996-30-1

1 2D Structure

1996-30-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-bromo-4-chloro-1-fluorobenzene

2.1.2 InChI

InChI=1S/C6H3BrClF/c7-5-3-4(8)1-2-6(5)9/h1-3H

2.1.3 InChI Key

YFFUYGSLQXVHMB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1Cl)Br)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1996-30-1

2. 3-bromo-4-fluorochlorobenzene

3. 1-bromo-5-chloro-2-fluorobenzene

4. 3-bromo-1-chloro-4-fluorobenzene

5. 2-fluoro-5-chlorobromobenzene

6. Benzene, 2-bromo-4-chloro-1-fluoro-

7. 1-bromo-3-chloro-6-fluorobenzene

8. 2-bromo-4-chloro-1-fluoro-benzene

9. 2-bromo-4-chlorofluorobenzene

10. Mfcd00672934

11. 5-chloro-2-fluorobromobenzene

12. Schembl692283

13. 2-bromo-3'-acetoxyacetophenone

14. 3-bromo-4-fluoro Chlorobenzene

15. Chembl2263224

16. Dtxsid20378319

17. Yffuygslqxvhmb-uhfffaoysa-n

18. 4-chloro-2-bromo-1-fluoro-benzene

19. Akos015853471

20. Cs-w015146

21. 2-bromo-4-chloro-1-fluorobenzene, 96%

22. Ac-23665

23. As-17842

24. Sy014711

25. Db-023803

26. A4371

27. Am20060143

28. B2956

29. En300-109515

30. J-508266

31. 3-bromo-4-fluorochlorobenzene ;3-bromo-1-chloro-4-fluorobenzene;2-bromo-4-fluorochlorobenzene

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₆H₃BrClF
Molecular Weight	209.44 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	0
Heavy Atom Count	9
Formal Charge	0
Complexity	99.1
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

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1996-30-1

Chemistry

1 End Use API

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