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CAS Number: 77779-49-8
ethyl 4-chloro-6-fluoroquinoline-3-carboxylate

Structure

ethyl 4-chloro-6-fluoroquinoline-3-carboxylate
Name: ethyl 4-chloro-6-fluoroquinoline-3-carboxylate
Synonyms:
General Information
Product Number: 77779498
CAS Registry Number: 77779-49-8
Name:
3-​Quinolinecarboxylic acid, 4-​chloro-​6-​fluoro-​, ethyl ester
4-​Chloro-​6-​fluoroquinoline-​3-​carboxylic acid ethyl ester; Ethyl 4-​chloro-​6-​fluoro-​3-​quinolinecarboxylate 
 
Chemical Formula: C12H9ClFNO2
Exact Mass: 253.03
Molecular Weight: 253.66
m/z: 253.03 (100.0%), 255.03 (32.4%), 254.03 (13.4%), 256.03 (4.2%)
Elemental Analysis: C, 56.82; H, 3.58; Cl, 13.98; F, 7.49; N, 5.52; O, 12.61
 
InChI: InChI=1S/C12H9ClFNO2/c1-2-17-12(16)9-6-15-10-4-3-7(14)5-8(10)11(9)13/h3-6H,2H2,1H3
InChIKey: PPHSOQWURBALSQ-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CN=C2C=CC(=CC2=C1Cl)F
 
Thermal Properties Value Condition Note
Melting Point 62-63 °C   (4)IC

Specification

98%

References
  1. (1) Cabrera, Gustavo; Ciencia (Maracaibo, Venezuela) 2002, V10(1), P57-67 CAPLUS
  2. (2) Eswaran, Sumesh; Bioorganic & Medicinal Chemistry Letters 2010, V20(3), P1040-1044 CAPLUS
  3. (3) Hoeglund, Iisa P. J.; Journal of Medicinal Chemistry 2006, V49(21), P6351-6363 CAPLUS
  4. (4) Takada, Susumu; Journal of Medicinal Chemistry 1988, V31(9), P1738-45 CAPLUS
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