CAS Registry Number: 97901-13-8

Name:

1H-​Indene-​2-​carboxylic acid, 5-​bromo-​2,​3-​dihydro-​, ethyl ester
Ethyl 5-​bromo-​2,​3-​dihydro-​1H-​indene-​2-​carboxylate 

Chemical Formula: C12H13BrO2
Exact Mass: 268.01
Molecular Weight: 269.13
m/z: 268.01 (100.0%), 270.01 (97.7%), 269.01 (13.1%), 271.01 (12.8%), 272.01 (1.2%)

InChI: InChI=1S/C21H16O/c22-21(20-9-5-2-6-10-20)16-13-17-11-14-19(15-12-17)18-7-3-1-4-8-18/h1-16H
InChIKey: WUPSFOFYQONBKI-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C(C=C1)C2=CC=C(C=C2)C=CC(=O)C3=CC=CC=C3

Specification

98%

PCT Int. Appl. (2014), WO 2014099633 A2 20140626.

PCT Int. Appl. (2013), WO 2013062892 A1 20130502.