| CAS Number | 1402694-33-0 |
| Catalog Number | AG019EP3(AGN-PC-0WG498) |
| Chemical Name | Methyl 2-oxo-4-(4,4,4-trifluoro-3-oxobutyl)-1,2,3,4-tetrahydroquinoline-8-carboxylate |
| IUPAC Name | methyl 2-oxo-4-(4,4,4-trifluoro-3-oxobutyl)-3,4-dihydro-1H-quinoline-8-carboxylate |
| InChI | InChI=1S/C15H14F3NO4/c1-23-14(22)10-4-2-3-9-8(7-12(21)19-13(9)10)5-6-11(20)15(16,17)18/h2-4,8H,5-7H2,1H3,(H,19,21) |
| InChI Key | FODOZPLMYAXJLV-UHFFFAOYSA-N |
| MDL Number | MFCD13172455 |
| Molecular Formula | C15H14F3NO4 |
| Molecular Weight | 329.2712 |
| SMILES | COC(=O)c1cccc2c1NC(=O)CC2CCC(=O)C(F)(F)F |
| Synonyms | Methyl 2-oxo-4-(4,4,4-trifluoro-3-oxobutyl)-1,2,3,4-tetrahydroquinoline-8-carboxylate,
1402694-33-0,
MFCD13172455,
AKOS027256057,
TZ000999,
CS-0037162,
Methyl 2-Oxo-4-(4,4,4-Trifluoro-3-Oxobutyl)-1,2,3,4-Tetrahydroquinoline-8-Carboxylate(WXC03806),
|
| Complexity | 492 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 329.275g/mol |
| Monoisotopic Mass | 329.087g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number