CAS Registry Number: 154825-97-5

Name:

Benzeneacetic acid, 4-​bromo-​α,​α-​dimethyl-​, methyl ester
2-​(4-​Bromophenyl)​-​2-​methylpropanoic acid methyl ester; 2-​(4-​Bromophenyl)​-​2-​methylpropionic acid methyl ester; Methyl 2-​(4-​bromophenyl)​-​2-​methylpropanoate; Methyl 2-​(4-​bromophenyl)​-​2-​methylpropionate 

Chemical Formula: C11H13BrO2
Exact Mass: 256.01
Molecular Weight: 257.12
m/z: 256.01 (100.0%), 258.01 (97.7%), 257.01 (12.0%), 259.01 (11.8%), 260.01 (1.0%)
Elemental Analysis: C, 51.38; H, 5.10; Br, 31.08; O, 12.44

InChI: InChI=1S/C11H13BrO2/c1-11(2,10(13)14-3)8-4-6-9(12)7-5-8/h4-7H,1-3H3
InChIKey: JTYDXPPFLQSEAQ-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C1=CC=C(C=C1)Br)C(=O)OC

Specification

98%

1. (1) Dawar, Pankaj; Tetrahedron Letters 2011, V52(33), P4262-4265 CAPLUS
2. (2) Puthiyapurayil, Pushpan; Journal of Heterocyclic Chemistry 2011, V48(5), P998-1005 CAPLUS