| CAS Number | 1263386-32-8 |
| Catalog Number | AG00IZFQ(AGN-PC-0WAZC4) |
| Chemical Name | ethyl 6-chloro-4-(trifluoromethyl)quinoline-2-carboxylate |
| IUPAC Name | ethyl 6-chloro-4-(trifluoromethyl)quinoline-2-carboxylate |
| InChI | InChI=1S/C13H9ClF3NO2/c1-2-20-12(19)11-6-9(13(15,16)17)8-5-7(14)3-4-10(8)18-11/h3-6H,2H2,1H3 |
| InChI Key | MLUQDYXYTIQLLY-UHFFFAOYSA-N |
| MDL Number | MFCD18426540 |
| Molecular Formula | C13H9ClF3NO2 |
| Molecular Weight | 303.6643 |
| SMILES | ClC2(=CC1(=C(N=C(C(=O)OCC)C=C1C(F)(F)F)C=C2)) |
| Synonyms | ethyl 6-chloro-4-(trifluoromethyl)quinoline-2-carboxylate,
1263386-32-8,
KS-000024TW,
ZINC63120233,
AKOS015993939,
ED-0233,
MCULE-8487814513,
4-(Trifluoromethyl)-6-chloroquinoline-2-carboxylic acid ethyl ester,
|
| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.665g/mol |
| Monoisotopic Mass | 303.027g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number