| CAS Number | 2059941-42-1 |
| Catalog Number | AG01BXNN |
| Chemical Name | 6-(Pyridin-3-yl)-2,3-dihydropyridazin-3-one hydrochloride |
| IUPAC Name | 3-pyridin-3-yl-1H-pyridazin-6-one;hydrochloride |
| InChI | InChI=1S/C9H7N3O.ClH/c13-9-4-3-8(11-12-9)7-2-1-5-10-6-7;/h1-6H,(H,12,13);1H |
| InChI Key | DRXYPRVMTOPRIE-UHFFFAOYSA-N |
| MDL Number | MFCD30497698 |
| Molecular Formula | C9H8ClN3O |
| Molecular Weight | 209.6323 |
| SMILES | O=C1C=CC(C2=CC=CN=C2)=NN1.[H]Cl |
| Synonyms | 6-(pyridin-3-yl)-2,3-dihydropyridazin-3-one hydrochloride,
2059941-42-1,
Z2738925494,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.633g/mol |
| Monoisotopic Mass | 209.036g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number