Ethyl 2-Cyano-4-oxo-4-(2-(trifluoromethyl)phenyl)butanoate - CAS 881673-53-6
Catalog: |
BB038758 |
Product Name: |
Ethyl 2-Cyano-4-oxo-4-(2-(trifluoromethyl)phenyl)butanoate |
CAS: |
881673-53-6 |
Synonyms: |
2-cyano-4-oxo-4-[2-(trifluoromethyl)phenyl]butanoic acid ethyl ester; ethyl 2-cyano-4-oxo-4-[2-(trifluoromethyl)phenyl]butanoate |
IUPAC Name: | ethyl 2-cyano-4-oxo-4-[2-(trifluoromethyl)phenyl]butanoate |
Description: | Ethyl 2-Cyano-4-oxo-4-(2-(trifluoromethyl)phenyl)butanoate (CAS# 881673-53-6 ) is a useful research chemical. |
Molecular Weight: | 299.25 |
Molecular Formula: | C14H12F3NO3 |
Canonical SMILES: | CCOC(=O)C(CC(=O)C1=CC=CC=C1C(F)(F)F)C#N |
InChI: | InChI=1S/C14H12F3NO3/c1-2-21-13(20)9(8-18)7-12(19)10-5-3-4-6-11(10)14(15,16)17/h3-6,9H,2,7H2,1H3 |
InChI Key: | BQVIJVKKRNWBJH-UHFFFAOYSA-N |
LogP: | 2.98108 |
Publication Number | Title | Priority Date |
US-2019322644-A1 | Heterocyclic apelin receptor (apj) agonists and uses thereof | 20161012 |
WO-2018071526-A1 | Heterocyclic apelin receptor (apj) agonists and uses thereof | 20161012 |
EP-1919865-A1 | 1-heterocyclylsulfonyl, 2-aminomethyl, 5- (hetero-) aryl substituted 1-h-pyrrole derivatives as acid secretion inhibitors | 20050830 |
EP-1919865-B1 | 1-heterocyclylsulfonyl, 2-aminomethyl, 5- (hetero-) aryl substituted 1-h-pyrrole derivatives as acid secretion inhibitors | 20050830 |
EP-2327692-A1 | 1-heterocyclylsulfonyl, 2-aminomethyl, 5-(hetero-)aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors | 20050830 |
Complexity: | 439 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 299.07692773 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 299.07692773 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 67.2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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