| CAS Number | 1981588-19-5 |
| Catalog Number | AG01BSSF |
| Chemical Name | 4-chloro-3-nitro-8-(trifluoromethoxy)quinoline |
| IUPAC Name | 4-chloro-3-nitro-8-(trifluoromethoxy)quinoline |
| InChI | InChI=1S/C10H4ClF3N2O3/c11-8-5-2-1-3-7(19-10(12,13)14)9(5)15-4-6(8)16(17)18/h1-4H |
| InChI Key | CONOMYDYILYDKL-UHFFFAOYSA-N |
| MDL Number | MFCD30539170 |
| Molecular Formula | C10H4ClF3N2O3 |
| Molecular Weight | 292.5986 |
| SMILES | [O-][N+](C1=C(Cl)C2=C(C(=CC=C2)OC(F)(F)F)N=C1)=O |
| Synonyms | 4-chloro-3-nitro-8-(trifluoromethoxy)quinoline,
1981588-19-5,
ZINC98061836,
|
| Complexity | 350 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.598g/mol |
| Monoisotopic Mass | 291.986g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number