Ethyl 4-Chloro-6-fluoroquinoline-3-carboxylate - CAS 77779-49-8
Catalog: |
BB036032 |
Product Name: |
Ethyl 4-Chloro-6-fluoroquinoline-3-carboxylate |
CAS: |
77779-49-8 |
Synonyms: |
4-chloro-6-fluoro-3-quinolinecarboxylic acid ethyl ester; ethyl 4-chloro-6-fluoroquinoline-3-carboxylate |
IUPAC Name: | ethyl 4-chloro-6-fluoroquinoline-3-carboxylate |
Description: | Ethyl 4-Chloro-6-fluoroquinoline-3-carboxylate (CAS# 77779-49-8) is a useful research chemical. |
Molecular Weight: | 253.66 |
Molecular Formula: | C12H9ClFNO2 |
Canonical SMILES: | CCOC(=O)C1=CN=C2C=CC(=CC2=C1Cl)F |
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 |
InChI Key: | PPHSOQWURBALSQ-UHFFFAOYSA-N |
Boiling Point: | 332.1 °C at 760 mmHg |
Density: | 1.354 g/cm3 |
Appearance: | Cream powder |
MDL: | MFCD00173350 |
LogP: | 3.20400 |
Publication Number | Title | Priority Date |
WO-2019089626-A1 | Substituted quinoline analogs as aldehyde dehydrogenase 1a1 (aldh1a1) inhibitors | 20171030 |
EP-3704102-A1 | Substituted quinoline analogs as aldehyde dehydrogenase 1a1 (aldh1a1) inhibitors | 20171030 |
US-2021179630-A1 | Substituted quinoline analogs as aldehyde dehydrogenase 1a1 (aldh1a1) inhibitors | 20171030 |
EP-3496715-A1 | Compounds useful for altering the levels of bile acids for the treatment of diabetes and cardiometabolic disease | 20160815 |
US-10414775-B2 | Compounds useful for altering the levels of bile acids for the treatment of diabetes and cardiometabolic disease | 20160815 |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.0305844 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.0305844 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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