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Also known as: 56961-77-4, 2,3-dichlorobromobenzene, Benzene, 1-bromo-2,3-dichloro-, Benzene, bromodichloro-, Mfcd00000536, 2,3-dichloro-1-bromobenzene
Molecular Formula
C6H3BrCl2
Molecular Weight
225.89  g/mol
InChI Key
HVKCZUVMQPUWSX-UHFFFAOYSA-N

CAS 56961-77-4
1 2D Structure

CAS 56961-77-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-bromo-2,3-dichlorobenzene
2.1.2 InChI
InChI=1S/C6H3BrCl2/c7-4-2-1-3-5(8)6(4)9/h1-3H
2.1.3 InChI Key
HVKCZUVMQPUWSX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C(=C1)Br)Cl)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 56961-77-4

2. 2,3-dichlorobromobenzene

3. Benzene, 1-bromo-2,3-dichloro-

4. Benzene, Bromodichloro-

5. Mfcd00000536

6. 2,3-dichloro-1-bromobenzene

7. Einecs 260-476-2

8. 1-bromo-2,3-dichloro-benzene

9. Bromodichlorobenzene

10. Monobromodichlorobenzene

11. 2,3-dichlorophenyl Bromide

12. Schembl221096

13. Dtxsid00205533

14. Zinc409251

15. Act12687

16. 1-bromo-2,3-dichlorobenzene, 98%

17. Akos000121083

18. Am61593

19. Cs-w010435

20. Ac-26066

21. Ps-10244

22. Sy040751

23. A4391

24. B0980

25. Ft-0609563

26. F14845

27. 961b774

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 225.89 g/mol
Molecular Formula C6H3BrCl2
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass223.87952 g/mol
Monoisotopic Mass223.87952 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
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