4-Chloro-7-trifluoromethylquinoline-3-carboxylic acid ethyl ester - CAS 21168-42-3
Catalog: |
BB016656 |
Product Name: |
4-Chloro-7-trifluoromethylquinoline-3-carboxylic acid ethyl ester |
CAS: |
21168-42-3 |
Synonyms: |
ethyl 4-chloro-7-(trifluoromethyl)quinoline-3-carboxylate |
IUPAC Name: | ethyl 4-chloro-7-(trifluoromethyl)quinoline-3-carboxylate |
Description: | 4-Chloro-7-trifluoromethylquinoline-3-carboxylic acid ethyl ester (CAS# 21168-42-3) is a useful research chemical. |
Molecular Weight: | 303.66 |
Molecular Formula: | C13H9ClF3NO2 |
Canonical SMILES: | CCOC(=O)C1=CN=C2C=C(C=CC2=C1Cl)C(F)(F)F |
InChI: | InChI=1S/C13H9ClF3NO2/c1-2-20-12(19)9-6-18-10-5-7(13(15,16)17)3-4-8(10)11(9)14/h3-6H,2H2,1H3 |
InChI Key: | SKBIFKCXMGRLLK-UHFFFAOYSA-N |
Boiling Point: | 338.688 °C at 760 mmHg |
Density: | 1.402 g/cm3 |
LogP: | 4.08370 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3325479-A1 | LIGANDS SELECTIVE TO ALPHA 6 SUBUNIT-CONTAINING GABAa RECEPTORS ANS THEIR METHODS OF USE | 20150603 |
US-2018134698-A1 | Ligands selective to alpha 6 subunit-containing gabaa receptors and their methods of use | 20150603 |
WO-2016196961-A1 | Ligands selective to alpha 6 subunit-containing gabaa receptors ans their methods of use | 20150603 |
EP-3325479-B1 | Ligands selective to alpha 6 subunit-containing gabaa receptors and their methods of use | 20150603 |
US-10865203-B2 | Ligands selective to alpha 6 subunit-containing GABAA receptors and their methods of use | 20150603 |
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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