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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

BUILDING BLOCK

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