| CAS Number | 680211-86-3 |
| Catalog Number | AG00FAI2 |
| Chemical Name | Ethyl 4-Chloro-2-(trifluoromethyl)quinoline-6-carboxylate |
| IUPAC Name | ethyl 4-chloro-2-(trifluoromethyl)quinoline-6-carboxylate |
| InChI | InChI=1S/C13H9ClF3NO2/c1-2-20-12(19)7-3-4-10-8(5-7)9(14)6-11(18-10)13(15,16)17/h3-6H,2H2,1H3 |
| InChI Key | OVKUZRAPJZZYQY-UHFFFAOYSA-N |
| MDL Number | MFCD00277503 |
| Molecular Formula | C13H9ClF3NO2 |
| Molecular Weight | 303.6643 |
| SMILES | CCOC(=O)C1=CC2=C(C=C1)N=C(C=C2Cl)C(F)(F)F |
| Synonyms | Ethyl 4-chloro-2-(trifluoromethyl)quinoline-6-carboxylate,
680211-86-3,
AC1MCYBE,
CTK6F6600,
KS-00003QZE,
ZINC2565076,
ZX-AP000673,
KM1165,
MFCD00277503,
AKOS023114874,
PC31857,
PS-7118,
RT-012607,
2-(Trifluoromethyl)-4-chloroquinoline-6-carboxylic acid ethyl ester,
CID2780666,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number