CAS Registry Number: 948289-14-3

Name:

3-​Quinolinecarboxylic acid, 6-​bromo-​2-​methyl-​, ethyl ester
6-​Bromo-​2-​methylquinoline-​3-​carboxylic acid ethyl ester; Ethyl 6-​bromo-​2-​methyl-​3-​quinolinecarboxylate 

Chemical Formula: C13H12BrNO2
Exact Mass: 293.01
Molecular Weight: 294.14
m/z: 293.01 (100.0%), 295.00 (97.3%), 294.01 (14.3%), 296.01 (13.9%), 295.01 (1.4%), 297.01 (1.3%)
Elemental Analysis: C, 53.08; H, 4.11; Br, 27.16; N, 4.76; O, 10.88

InChI: InChI=1S/C13H12BrNO2/c1-3-17-13(16)11-7-9-6-10(14)4-5-12(9)15-8(11)2/h4-7H,3H2,1-2H3
InChIKey: WOWPFIGSWCNAHK-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(N=C2C=CC(=CC2=C1)Br)C

Specification

98%

PCT Int. Appl. (2014), WO 2014014874 A1 20140123.                                  

U.S. Pat. Appl. Publ. (2008), US 20080096921 A1 20080424.