CAS 56961-77-4 | Drug Information, Uses, Side Effects, Pharma intermediate Chemistry | PharmaCompass.com

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2D Structure

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

1 2D Structure

2D Structure

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 Formula	C₆H₃BrCl₂
Molecular Weight	225.89 g/mol
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	223.87952 g/mol
Monoisotopic Mass	223.87952 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

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