1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-bromo-1-(3-bromophenyl)ethanone

2.1.2 InChI

InChI=1S/C8H6Br2O/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5H2

2.1.3 InChI Key

MZBXSQBQPJWECM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 18523-22-3

2. 2,3'-dibromoacetophenone

3. 2-bromo-1-(3-bromophenyl)ethanone

4. Ethanone, 2-bromo-1-(3-bromophenyl)-

5. 2-bromo-3'-bromoacetophenone

6. 3-bromophenacylbromide

7. Mfcd00082698

8. 2-bromo-1-(3-bromo-phenyl)-ethanone

9. 2-bromo-1-(3-bromophenyl)ethan-1-one

10. A,3'-dibromoacetophenone

11. 2-bromo-1-(3-bromophenyl)-1-ethanone

12. M-bromophenacyl Bromide

13. 2,3-dibromoacetophenone

14. 3'-bromophenacyl Bromide

15. 3',alpha-dibromoacetophenone

16. Schembl316026

17. 2-bromo-3'-bromo Acetophenone

18. Dtxsid80334077

19. 2,3'-dibromoacetophenone, 97%

20. Zinc153534

21. Ck2554

22. Stl301840

23. Akos000210259

24. 2-bromo-1-(3-bromophenyl)ethanone #

25. Cs-w012301

26. Ps-10009

27. Sy014721

28. Db-044552

29. Ft-0615235

30. Ft-0615236

31. 2,3 Inverted Exclamation Mark -dibromoacetophenone

32. A812935

33. J-011877

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₈H₆Br₂O
Molecular Weight	277.94 g/mol
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	277.87649 g/mol
Monoisotopic Mass	275.87854 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	147
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 18523-22-3

CAS 18523-22-3

CHEMISTRY

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