| CAS Number | 1955499-03-2 |
| Catalog Number | AG01C5N2 |
| Chemical Name | ethyl 1-(2-fluoroethyl)-6-oxo-1,6-dihydropyridazine-3-carboxylate |
| IUPAC Name | ethyl 1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylate |
| InChI | InChI=1S/C9H11FN2O3/c1-2-15-9(14)7-3-4-8(13)12(11-7)6-5-10/h3-4H,2,5-6H2,1H3 |
| InChI Key | XDADYLXKSNUGNX-UHFFFAOYSA-N |
| MDL Number | MFCD29991436 |
| Molecular Formula | C9H11FN2O3 |
| Molecular Weight | 214.1936 |
| SMILES | CCOC(C1=NN(CCF)C(=O)C=C1)=O |
| Synonyms | ethyl 1-(2-fluoroethyl)-6-oxo-1,6-dihydropyridazine-3-carboxylate,
1955499-03-2,
AKOS033919751,
ZINC390822228,
Z2465620012,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.196g/mol |
| Monoisotopic Mass | 214.075g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number