CAS 34911-51-8

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Also known as: 34911-51-8, 2-bromo-1-(3-chlorophenyl)propan-1-one, 2-bromo-1-(3-chlorophenyl)-1-propanone, 3'-chloro-2-bromopropiophenone, 1-propanone, 2-bromo-1-(3-chlorophenyl)-, 3op1ci6qqx

Molecular Formula

C₉H₈BrClO

Molecular Weight

247.51 g/mol

InChI Key

OFNMQTRHMBQQEA-UHFFFAOYSA-N

FDA UNII

3OP1CI6QQX

1 2D Structure

CAS 34911-51-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-bromo-1-(3-chlorophenyl)propan-1-one

2.1.2 InChI

InChI=1S/C9H8BrClO/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6H,1H3

2.1.3 InChI Key

OFNMQTRHMBQQEA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

3OP1CI6QQX

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 34911-51-8

2. 2-bromo-1-(3-chlorophenyl)propan-1-one

3. 2-bromo-1-(3-chlorophenyl)-1-propanone

4. 3'-chloro-2-bromopropiophenone

5. 1-propanone, 2-bromo-1-(3-chlorophenyl)-

6. 3op1ci6qqx

7. 1-propanone,2-bromo-1-(3-chlorophenyl)-

8. Mfcd03701150

9. 2-bromo-1-(3-chloro-phenyl)-propan-1-one

10. Einecs 252-282-1

11. Unii-3op1ci6qqx

12. Bromo-3'-chloropropiophenone

13. Schembl633225

14. Bromochloropropio Phenone

15. 3'-chloro-?-bromopropiophenone

16. M-chloro-alpha-bromopropiophenone

17. 3'-chloro-2-bromo-propiophenone

18. Dtxsid10956382

19. 3'-chloro-alpha-bromopropiophenone

20. Alpha-bromo-3'chloro Propiophenone

21. Ac1538

22. 2-bromo-3-chloropropiophenone

23. Akos000210949

24. Akos017269060

25. Ab15749

26. As-0006

27. Cs-w004079

28. Alpha-bromo-3-chloropropiophenone

29. Sy104235

30. .alpha.-bromo-m-chloropropiophenone

31. .alpha.-bromo-3-chloropropiophenone

32. Db-020575

33. Am20040250

34. Ft-0639220

35. Bupropion Related Compound G [usp-rs]

36. En300-07111

37. A24700

38. Bromochloropropio Phenone [usp Impurity]

39. 911b518

40. J-019802

41. J-508146

42. 2-bromo-1-(3-chlorophenyl)-1-propanone, Aldrichcpr

43. 2-bromo-3 Inverted Exclamation Mark -chloropropiophenone

44. 2-bromo-1-(3-chlorophenyl)propan-1-one (2-bromo-3'-chloropropiophenone)

2.4 Create Date

2005-09-17

3 Chemical and Physical Properties

Molecular Formula	C₉H₈BrClO
Molecular Weight	247.51 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	245.94471 g/mol
Monoisotopic Mass	245.94471 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	172
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1