| CAS Number | 890841-23-3 |
| Catalog Number | AG00IFKP |
| Chemical Name | 4-Chloro-7-(trifluoromethoxy)quinoline-3-carboxylic acid ethyl ester |
| IUPAC Name | ethyl 4-chloro-7-(trifluoromethoxy)quinoline-3-carboxylate |
| InChI | InChI=1S/C13H9ClF3NO3/c1-2-20-12(19)9-6-18-10-5-7(21-13(15,16)17)3-4-8(10)11(9)14/h3-6H,2H2,1H3 |
| InChI Key | XQRIHVPOLQTQIZ-UHFFFAOYSA-N |
| MDL Number | MFCD16987428 |
| Molecular Formula | C13H9ClF3NO3 |
| Molecular Weight | 319.6637 |
| SMILES | CCOC(=O)c1cnc2c(c1Cl)ccc(c2)OC(F)(F)F |
| Synonyms | 890841-23-3,
4-Chloro-7-(trifluoromethoxy)quinoline-3-carboxylic acid ethyl ester,
ethyl 4-chloro-7-(trifluoromethoxy)quinoline-3-carboxylate,
SCHEMBL18987698,
DTXSID00677852,
MFCD16987428,
ZINC47913005,
PC404610,
T6711,
|
| Complexity | 380 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.664g/mol |
| Monoisotopic Mass | 319.022g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 48.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number