| CAS Number | 1133115-62-4 |
| Catalog Number | AG003RV0(AGN-PC-07XU65) |
| Chemical Name | Methyl 4-chloro-8-(trifluoromethyl)quinoline-2-carboxylate |
| IUPAC Name | methyl 4-chloro-8-(trifluoromethyl)quinoline-2-carboxylate |
| InChI | InChI=1S/C12H7ClF3NO2/c1-19-11(18)9-5-8(13)6-3-2-4-7(10(6)17-9)12(14,15)16/h2-5H,1H3 |
| InChI Key | PDSWVGRWFMQPLK-UHFFFAOYSA-N |
| MDL Number | MFCD11855877 |
| Molecular Formula | C12H7ClF3NO2 |
| Molecular Weight | 289.6377 |
| SMILES | COC(=O)c1cc(Cl)c2c(n1)c(ccc2)C(F)(F)F |
| Synonyms | METHYL 4-CHLORO-8-(TRIFLUOROMETHYL)QUINOLINE-2-CARBOXYLATE,
1133115-62-4,
ACMC-2099id,
CTK4A8217,
DTXSID50674831,
ANW-16595,
MFCD11855877,
ZINC38537287,
AKOS015850330,
RTR-002550,
AJ-96043,
AX8231389,
TR-002550,
ST24025364,
Z7432,
A-4985,
I08-611,
C12H7ClF3NO2,
METHYL4-CHLORO-8-(TRIFLUOROMETHYL)QUINOLINE-2-CARBOXYLATE,
|
| Complexity | 350 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.638g/mol |
| Monoisotopic Mass | 289.012g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number