Ethyl 2-Chloro-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxylate - CAS 881673-68-3
Catalog: |
BB038760 |
Product Name: |
Ethyl 2-Chloro-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxylate |
CAS: |
881673-68-3 |
Synonyms: |
2-chloro-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxylic acid ethyl ester; ethyl 2-chloro-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxylate |
IUPAC Name: | ethyl 2-chloro-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxylate |
Description: | Ethyl 2-Chloro-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxylate (CAS# 881673-68-3 ) is a useful research chemical. |
Molecular Weight: | 317.69 |
Molecular Formula: | C14H11ClF3NO2 |
Canonical SMILES: | CCOC(=O)C1=C(NC(=C1)C2=CC=CC=C2C(F)(F)F)Cl |
InChI: | InChI=1S/C14H11ClF3NO2/c1-2-21-13(20)9-7-11(19-12(9)15)8-5-3-4-6-10(8)14(16,17)18/h3-7,19H,2H2,1H3 |
InChI Key: | CJQBBSJEKMIWRT-UHFFFAOYSA-N |
LogP: | 4.53060 |
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: | 378 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 317.04304079999997 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 317.04304079999997 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 42.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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