1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-bromo-8-chloronaphthalene

2.1.2 InChI

InChI=1S/C10H6BrCl/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H

2.1.3 InChI Key

JHZQEADUKRNQBX-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 20816-79-9

2. Dtxsid50605564

3. Refchem:75152

4. Dtxcid10556321

5. 865-322-3

6. 1-bromo-8-chloro-naphthalene

7. Mfcd17012231

8. 1-chlor-8-brom-naphthalin

9. 18-bcn

10. Schembl2696664

11. Schembl8584227

12. Schembl28781996

13. Schembl29428570

14. Wlz4159

15. Jhzqeadukrnqbx-uhfffaoysa-n

16. Akos027323821

17. Bs-16557

18. Sy261945

19. Db-083614

20. Cs-0099973

21. P20508

22. En300-7865840

23. F546076

24. Z1269217224

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₆BrCl
Molecular Weight	241.51 g/mol
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	0
Heavy Atom Count	12
Formal Charge	0
Complexity	160
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 20816-79-9