CAS Registry Number: 1445781-45-2

Name:

8-​Quinolinecarboxylic acid, 5-​bromo-​, methyl ester
Methyl 5-​bromoquinoline-​8-​carboxylate 

Chemical Formula: C11H8BrNO2
Exact Mass: 264.97
Molecular Weight: 266.09
m/z: 264.97 (100.0%), 266.97 (97.3%), 265.98 (12.1%), 267.98 (11.8%), 266.98 (1.1%), 268.98 (1.0%)

InChI: InChI=1S/C11H8BrNO2/c1-15-11(14)8-4-5-9(12)7-3-2-6-13-10(7)8/h2-6H,1H3
InChIKey: IHRLTIQTMTVDGZ-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C2C(=C(C=C1)Br)C=CC=N2

Specification

98%

PCT Int. Appl. (2013), WO 2013096194 A1 20130627.