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Also known as: 32454-35-6, 2-(4-bromophenyl)-2-methylpropionic acid, 2-(4-bromophenyl)-2,2'-dimethylacetic acid, Mfcd02684220, 2-methyl-2-(p-bromophenyl)propionic acid, Ec 696-555-7
Molecular Formula
C10H11BrO2
Molecular Weight
243.10  g/mol
InChI Key
AKVOQXBQLXOEEF-UHFFFAOYSA-N

CAS 32454-35-6
1 2D Structure

CAS 32454-35-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(4-bromophenyl)-2-methylpropanoic acid
2.1.2 InChI
InChI=1S/C10H11BrO2/c1-10(2,9(12)13)7-3-5-8(11)6-4-7/h3-6H,1-2H3,(H,12,13)
2.1.3 InChI Key
AKVOQXBQLXOEEF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)(C1=CC=C(C=C1)Br)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 32454-35-6

2. 2-(4-bromophenyl)-2-methylpropionic Acid

3. 2-(4-bromophenyl)-2,2'-dimethylacetic Acid

4. Mfcd02684220

5. 2-methyl-2-(p-bromophenyl)propionic Acid

6. Ec 696-555-7

7. Schembl897098

8. Dtxsid70448899

9. Dimethyl(p-bromophenyl)acetic Acid

10. Bcp14118

11. Cs-m1477

12. Zinc2583922

13. Akos009358276

14. Ac-27641

15. Am803697

16. Sy021456

17. Ts-03377

18. 2-(4-bromophenyl)-2-methyl Propionic Acid

19. Db-005775

20. 2-(4-bromo-phenyl)-2-methyl-propionic Acid

21. 2-(4-bromophenyl)-2,2-dimethylacetic Acid

22. Ft-0608593

23. En300-41063

24. 454b356

25. A821280

26. J-509916

27. 2-(4-bromophenyl)-2-methylpropionic Acid, Aldrichcpr

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 243.10 g/mol
Molecular Formula C10H11BrO2
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass241.99424 g/mol
Monoisotopic Mass241.99424 g/mol
Topological Polar Surface Area37.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity193
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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