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2D Structure
Also known as: 1435-52-5, 2,5-dibromo-fluorobenzene, 2,5-dibromofluorobenzene, 4-bromo-2-fluorobromobenzene, Benzene, 1,4-dibromo-2-fluoro-, 1,4-dibromo-2-fluorobenzene98%
Molecular Formula
C6H3Br2F
Molecular Weight
253.89  g/mol
InChI Key
WNSNPGHNIJOOPM-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,4-dibromo-2-fluorobenzene
2.1.2 InChI
InChI=1S/C6H3Br2F/c7-4-1-2-5(8)6(9)3-4/h1-3H
2.1.3 InChI Key
WNSNPGHNIJOOPM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C=C1Br)F)Br
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1435-52-5

2. 2,5-dibromo-fluorobenzene

3. 2,5-dibromofluorobenzene

4. 4-bromo-2-fluorobromobenzene

5. Benzene, 1,4-dibromo-2-fluoro-

6. 1,4-dibromo-2-fluorobenzene98%

7. Mfcd00010603

8. 2-fluoro-4-bromobromobenzene

9. Nsc402971

10. 2,5-dichloro-fluorobenzene

11. Schembl325998

12. Dtxsid10162446

13. Zinc409336

14. Ck2389

15. 1,4-dibromo-2-fluorobenzene, 98%

16. Akos015835210

17. Am61328

18. Cs-w008202

19. Nsc 402971

20. Nsc-402971

21. As-19431

22. Bp-12757

23. Sy020716

24. Db-042693

25. Ft-0610278

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 253.89 g/mol
Molecular Formula C6H3Br2F
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass253.85650 g/mol
Monoisotopic Mass251.85855 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity97.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1