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CAS Number: 70458-93-4
ethyl 7-chloro-6-fluoro-4-hydroxyquinoline-3-carboxylate

Structure

ethyl 7-chloro-6-fluoro-4-hydroxyquinoline-3-carboxylate
Name: ethyl 7-chloro-6-fluoro-4-hydroxyquinoline-3-carboxylate
Synonyms:
General Information
Product Number: 70458934
CAS Registry Number: 70458-93-4
Name:
3-​Quinolinecarboxylic acid, 7-​chloro-​6-​fluoro-​4-​hydroxy-​, ethyl ester
Ethyl 7-​chloro-​6-​fluoro-​4-​hydroxyquinoline-​3-​carboxylate 
 
Chemical Formula: C12H9ClFNO3
Exact Mass: 269.03
Molecular Weight: 269.66
m/z: 269.03 (100.0%), 271.02 (32.0%), 270.03 (13.2%), 272.03 (4.3%), 271.03 (1.5%)
Elemental Analysis: C, 53.45; H, 3.36; Cl, 13.15; F, 7.05; N, 5.19; O, 17.80
 
InChI: InChI=1S/C12H9ClFNO3/c1-2-18-12(17)7-5-15-10-4-8(13)9(14)3-6(10)11(7)16/h3-5H,2H2,1H3,(H,15,16)
InChIKey: VLOYRWBXBBOLJW-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CNC2=CC(=C(C=C2C1=O)F)Cl
 
Thermal Properties Value Condition Note
Melting Point >300 °C Solv: N,N-dimethylformamide (68-12-2) (1)IC

Specification

98%

References
  1. (1) Koga, Hiroshi; Journal of Medicinal Chemistry 1980, V23(12), P1358-63 CAPLUS
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