Methyl 3-(Trifluoromethyl)pyrrole-2-carboxylate - CAS 1628642-61-4
Catalog: |
BB011916 |
Product Name: |
Methyl 3-(Trifluoromethyl)pyrrole-2-carboxylate |
CAS: |
1628642-61-4 |
Synonyms: |
3-(trifluoromethyl)-1H-pyrrole-2-carboxylic acid methyl ester; methyl 3-(trifluoromethyl)-1H-pyrrole-2-carboxylate |
IUPAC Name: | methyl 3-(trifluoromethyl)-1H-pyrrole-2-carboxylate |
Description: | Methyl 3-(Trifluoromethyl)pyrrole-2-carboxylate (CAS# 1628642-61-4 ) is a useful research chemical. |
Molecular Weight: | 193.12 |
Molecular Formula: | C7H6F3NO2 |
Canonical SMILES: | COC(=O)C1=C(C=CN1)C(F)(F)F |
InChI: | InChI=1S/C7H6F3NO2/c1-13-6(12)5-4(2-3-11-5)7(8,9)10/h2-3,11H,1H3 |
InChI Key: | DDQHCBLWKRSNBF-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
AU-2014385275-A1 | Bicyclic pyrrole derivatives useful as agonists of GPR120 | 20140307 |
AU-2014385275-B2 | Bicyclic pyrrole derivatives useful as agonists of GPR120 | 20140307 |
CA-2941442-A1 | Bicyclic pyrrole derivatives useful as agonists of gpr120 | 20140307 |
EP-3114111-A1 | Bicyclic pyrrole derivatives useful as agonists of gpr120 | 20140307 |
EP-3114111-B1 | Bicyclic pyrrole derivatives useful as agonists of gpr120 | 20140307 |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.03506292 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.03506292 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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