| CAS Number | 1187386-20-4 |
| Catalog Number | AG003RZ3(AGN-PC-07XU56) |
| Chemical Name | Methyl 8-methyl-4-oxo-5-trifluoromethyl-1,4-dihydroquinoline-2-carboxylate |
| IUPAC Name | methyl 8-methyl-4-oxo-5-(trifluoromethyl)-1H-quinoline-2-carboxylate |
| InChI | InChI=1S/C13H10F3NO3/c1-6-3-4-7(13(14,15)16)10-9(18)5-8(12(19)20-2)17-11(6)10/h3-5H,1-2H3,(H,17,18) |
| InChI Key | LGZHBJCNZIYFCS-UHFFFAOYSA-N |
| MDL Number | MFCD12756446 |
| Molecular Formula | C13H10F3NO3 |
| Molecular Weight | 285.2186 |
| SMILES | COC(=O)c1cc(=O)c2c([nH]1)c(C)ccc2C(F)(F)F |
| Synonyms | 1187386-20-4,
Methyl 8-methyl-4-oxo-5-(trifluoromethyl)-1,4-dihydroquinoline-2-carboxylate,
METHYL 8-METHYL-4-OXO-5-TRIFLUOROMETHYL-1,4-DIHYDROQUINOLINE-2-CARBOXYLATE,
ACMC-2099zh,
CTK4B0861,
DTXSID70674797,
ANW-17211,
MFCD12756446,
ZINC38537241,
AKOS015842091,
AJ-96002,
AX8231404,
Z7999,
A-5304,
I08-595,
C13H10F3NO3,
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| Complexity | 458 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.222g/mol |
| Monoisotopic Mass | 285.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number