CAS 5000-66-8

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Also known as: 5000-66-8, 2-bromo-1-(2-chlorophenyl)ethanone, 2'-chlorophenacyl bromide, 2-bromo-1-(2-chlorophenyl)ethan-1-one, 2'-chloro-2-bromoacetophenone, 2-chlorophenacyl bromide

Molecular Formula

C₈H₆BrClO

Molecular Weight

233.49 g/mol

InChI Key

WZWWEVCLPKAQTA-UHFFFAOYSA-N

1 2D Structure

CAS 5000-66-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-bromo-1-(2-chlorophenyl)ethanone

2.1.2 InChI

InChI=1S/C8H6BrClO/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4H,5H2

2.1.3 InChI Key

WZWWEVCLPKAQTA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C(=C1)C(=O)CBr)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 5000-66-8

2. 2-bromo-1-(2-chlorophenyl)ethanone

3. 2'-chlorophenacyl Bromide

4. 2-bromo-1-(2-chlorophenyl)ethan-1-one

5. 2'-chloro-2-bromoacetophenone

6. 2-chlorophenacyl Bromide

7. 2-chloro-2'-bromoacetophenone

8. 2-bromo-1-(2-chlorophenyl)-1-ethanone

9. Mfcd00832993

10. 2-bromo-1-(2-chloro-phenyl)-ethanone

11. 2-chlorophenacylbromide

12. 2-chloro Phenacylbromide

13. Schembl38141

14. 2-bromo-2'-chloro Acetophenone

15. 2-bromo-2\'-chloroacetophenone

16. Dtxsid30370945

17. 2'-chloro-alpha-bromoacetophenone

18. Zinc166628

19. Act00383

20. Albb-021379

21. 2-bromo-1-(chloro-phenyl)-ethanone

22. Stl131875

23. 2-bromo-1-(2-chlorophenyl) Ethanone

24. 2-bromo-2'-chloroacetophenone, 95%

25. Akos000210546

26. Wt82486

27. 2-bromo-1-(2'-chlorophenyl) Ethanone

28. Ethanone, 2-bromo-1-(2-chlorophenyl)-

29. Sy004173

30. Db-020950

31. Am20040572

32. Cs-0008415

33. Ft-0611329

34. En300-20758

35. 000b668

36. 1y-0714

37. J-508137

38. 2-bromo-2 Inverted Exclamation Mark -chloroacetophenone

39. F0001-1306

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₈H₆BrClO
Molecular Weight	233.49 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	231.92906 g/mol
Monoisotopic Mass	231.92906 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	149
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