| CAS Number | 1955554-53-6 |
| Catalog Number | AG01E7WL |
| Chemical Name | 8-fluoro-3-nitro-1,4-dihydroquinolin-4-one |
| IUPAC Name | 8-fluoro-3-nitro-1H-quinolin-4-one |
| InChI | InChI=1S/C9H5FN2O3/c10-6-3-1-2-5-8(6)11-4-7(9(5)13)12(14)15/h1-4H,(H,11,13) |
| InChI Key | PTKJZIJHTZWEGE-UHFFFAOYSA-N |
| MDL Number | MFCD29991717 |
| Molecular Formula | C9H5FN2O3 |
| Molecular Weight | 208.1460 |
| SMILES | [O-][N+](C1C(=O)C2=C(C(=CC=C2)F)NC=1)=O |
| Synonyms | 8-fluoro-3-nitroquinolin-4-ol,
8-Fluoro-3-nitroquinolin-4(1H)-one,
AKOS033931981,
ZINC256053046,
Z2507870647,
1822733-71-0,
1955554-53-6,
8-fluoro-3-nitro-1,4-dihydroquinolin-4-one,
|
| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.02842g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.15g/mol |
| Monoisotopic Mass | 208.02842g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 74.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number