| CAS Number | 1823892-24-5 |
| Catalog Number | AG01B2DW |
| Chemical Name | 6-chloro-3-iodo-[1,2,4]triazolo[4,3-b]pyridazine |
| IUPAC Name | 6-chloro-3-iodo-[1,2,4]triazolo[4,3-b]pyridazine |
| InChI | InChI=1S/C5H2ClIN4/c6-3-1-2-4-8-9-5(7)11(4)10-3/h1-2H |
| InChI Key | XNSXFRSSCBPJMY-UHFFFAOYSA-N |
| MDL Number | MFCD27975633 |
| Molecular Formula | C5H2ClIN4 |
| Molecular Weight | 280.4537 |
| SMILES | ClC1=NN2C(=NN=C2I)C=C1 |
| Synonyms | 6-chloro-3-iodo-[1,2,4]triazolo[4,3-b]pyridazine,
1823892-24-5,
ZINC238540103,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.901g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.453g/mol |
| Monoisotopic Mass | 279.901g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number