CAS Registry Number: 73776-25-7

Name:

3-​Quinolinecarboxylic acid, 2-​chloro-
2-​Chloro-​3-​quinolinecarboxylic acid 

Chemical Formula: C10H6ClNO2
Exact Mass: 207.01
Molecular Weight: 207.61
m/z: 207.01 (100.0%), 209.01 (32.4%), 208.01 (11.3%), 210.01 (3.5%)

InChI: InChI=1S/C10H6ClNO2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h1-5H,(H,13,14)
InChIKey: XFSORZYTTCOBFN-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C2C(=C1)C=C(C(=N2)Cl)C(=O)O

Specification

98%

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2. (2) Ladraa, Souheila; Acta Crystallographica, Section E: Structure Reports Online 2010, V66(3), Po693 CAPLUS
3. (3) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
4. (4) Marsais, F.; Journal of Heterocyclic Chemistry 1989, V26(6), P1589-94 CAPLUS
5. (5) Shimizu, Kazuko; Yakugaku Zasshi 1967, V87(6), P672-6 CAPLUS
6. (6) Cale, Albert D., Jr.; US 4705853 A 1987 CAPLUS
7. (7) Cale, Albert D., Jr.; US 4592866 A 1986 CAPLUS