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 Formula	C₁₀H₁₁BrO₂
Molecular Weight	243.10 g/mol
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	241.99424 g/mol
Monoisotopic Mass	241.99424 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	193
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS 32454-35-6

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