4CH-013241

1 2D Structure

4CH-013241

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 Formula	C₆H₃Br₂F
Molecular Weight	253.89 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	253.85650 g/mol
Monoisotopic Mass	251.85855 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	97.1
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

CAS 1435-52-5 manufacturers and suppliers on PharmaCompass