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Also known as: 1996-30-1, 3-bromo-4-fluorochlorobenzene, 1-bromo-5-chloro-2-fluorobenzene, 3-bromo-1-chloro-4-fluorobenzene, 2-fluoro-5-chlorobromobenzene, Benzene, 2-bromo-4-chloro-1-fluoro-
Molecular Formula
C6H3BrClF
Molecular Weight
209.44  g/mol
InChI Key
YFFUYGSLQXVHMB-UHFFFAOYSA-N

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 Weight 209.44 g/mol
Molecular Formula C6H3BrClF
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area0
Heavy Atom Count9
Formal Charge0
Complexity99.1
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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