1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C10H11BrO/c1-7-3-5-9(6-4-7)10(12)8(2)11/h3-6,8H,1-2H3

2.1.3 InChI Key

OZLUPIIIHOOPNQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC=C(C=C1)C(=O)C(C)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1451-82-7

2. 2-bromo-1-(p-tolyl)propan-1-one

3. 2-bromo-1-(4-methylphenyl)propan-1-one

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

5. Mfcd11131402

6. 2-bromo-1-(4-methylphenyl)-1-propanone

7. 2-bromo-1-p-tolylpropan-1-one

8. Schembl633160

9. 2-bromo-4\'-methylpropiophenone

10. Dtxsid10370105

11. 2-bromo-1-p-tolyl-propan-1-one

12. 4'-methyl-alpha-bromopropiophenone

13. Albb-018750

14. Akos000210898

15. Akos016344665

16. Ds-3156

17. Sy040622

18. 1-(4-methylphenyl)-1-oxo-2-bromopropane

19. Db-063591

20. Am20020502

21. B4781

22. Bb 0262803

23. Cs-0102565

24. Ft-0663799

25. 451b827

26. J-008066

27. 2-bromo-1-(4-methylphenyl)-1-propanone, Aldrichcpr

28. 2-bromo-4 Inverted Exclamation Mark -methylpropiophenone

29. F9995-0106

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₁BrO
Molecular Weight	227.10 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	225.99933 g/mol
Monoisotopic Mass	225.99933 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	159
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-(P-Tolyl)Propan-1-One

2-Bromo-1-(P-Tolyl)Propan-1-One

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