1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-bromo-1-(4-chlorophenyl)propan-1-one

2.1.2 InChI

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

2.1.3 InChI Key

SAKMPXRILWVZEG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 877-37-2

2. 1-propanone,2-bromo-1-(4-chlorophenyl)-

3. 2-bromo-1-(4-chloro-phenyl)-propan-1-one

4. 2-bromo-4'-chloropropiophenone

5. 2-bromo-1-(4-chlorophenyl)-propan-1-one

6. 2-bromo-4-chloropropiophenone

7. Schembl634548

8. 4'-chloro-2-bromopropiophenone

9. Dtxsid50396420

10. 4'-chloro-alpha-bromopropiophenone

11. Mfcd00018687

12. Stk208501

13. Akos000118638

14. Akos016050184

15. (4-chlorophenyl)-(1-bromoethyl)-ketone

16. Bs-13570

17. Cs-0038379

18. Ft-0691566

19. En300-04458

20. W12152

21. A842356

2.3 Create Date

2005-09-11

3 Chemical and Physical Properties

Molecular Formula	C₉H₈BrClO
Molecular Weight	247.51 g/mol
XLogP3	3.4
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	164
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

2-Bromo-1-(4-Chlorophenyl)Propan-1-One