Ethyl 4-Chloro-6-(trifluoromethyl)quinoline-3-carboxylate - CAS 193827-69-9
Catalog: |
BB015018 |
Product Name: |
Ethyl 4-Chloro-6-(trifluoromethyl)quinoline-3-carboxylate |
CAS: |
193827-69-9 |
Synonyms: |
4-chloro-6-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester; ethyl 4-chloro-6-(trifluoromethyl)quinoline-3-carboxylate |
IUPAC Name: | ethyl 4-chloro-6-(trifluoromethyl)quinoline-3-carboxylate |
Description: | Ethyl 4-Chloro-6-(trifluoromethyl)quinoline-3-carboxylate (CAS# 193827-69-9 ) is a useful research chemical. |
Molecular Weight: | 303.66 |
Molecular Formula: | C13H9ClF3NO2 |
Canonical SMILES: | CCOC(=O)C1=CN=C2C=CC(=CC2=C1Cl)C(F)(F)F |
InChI: | InChI=1S/C13H9ClF3NO2/c1-2-20-12(19)9-6-18-10-4-3-7(13(15,16)17)5-8(10)11(9)14/h3-6H,2H2,1H3 |
InChI Key: | NYDXGDQZPDDDMR-UHFFFAOYSA-N |
Boiling Point: | 338.7 ℃ at 760 mmHg |
Density: | 1.401 g/cm3 |
LogP: | 4.08370 |
Publication Number | Title | Priority Date |
AU-2008261888-A1 | Therapeutic pyrazoloquinoline urea derivatives | 20070608 |
CA-2688405-A1 | Therapeutic pyrazoloquinoline urea derivatives | 20070608 |
CN-101686682-A | therapeutic pyrazoloquinoline urea derivatives | 20070608 |
EP-2164328-B1 | Therapeutic pyrazoloquinoline urea derivatives | 20070608 |
ES-2433566-T3 | Therapeutic derivatives of pyrazoloquinolinurea | 20070608 |
Complexity: | 364 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 303.0273907 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 303.0273907 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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