CAS Registry Number: 335640-50-1

Name:

3-​Quinolinecarboxylic acid, 5-​chloro-​1,​2-​dihydro-​4-​hydroxy-​1-​methyl-​2-​oxo-
1,​2-​Dihydro-​4-​hydroxy-​5-​chloro-​1-​methyl-​2-​oxoquinoline-​3-​carboxylic acid; 5-​Chloro-​1,​2-​dihydro-​4-​hydroxy-​1-​methyl-​2-​oxoquinoline-​3-​carboxylic acid 

Chemical Formula: C11H8ClNO4
Exact Mass: 253.01
Molecular Weight: 253.64
m/z: 253.01 (100.0%), 255.01 (32.0%), 254.02 (12.1%), 256.01 (3.9%), 255.02 (1.5%)

InChI: InChI=1S/C11H8ClNO4/c1-13-6-4-2-3-5(12)7(6)9(14)8(10(13)15)11(16)17/h2-4,14H,1H3,(H,16,17)
InChIKey: FTBWKSJUFWRKGL-UHFFFAOYSA-N
Canonical SMILES : CN1C2=C(C(=CC=C2)Cl)C(=C(C1=O)C(=O)O)O

Specification

98%

1. (1) Wennerberg, Johan; Organic Process Research & Development 2007, V11(4), P674-680 CAPLUS
2. (2) Jansson, Karl; Journal of Organic Chemistry 2006, V71(4), P1658-1667 CAPLUS