| CAS Number | 1630906-50-1 |
| Catalog Number | AG001TP3(AGN-PC-0WBT04) |
| Chemical Name | 1,2,4-Triazolo[4,3-b]pyridazine-3-carboxylic acid, 6-chloro-, sodium salt (1:1) |
| IUPAC Name | sodium;6-chloro-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylate |
| InChI | InChI=1S/C6H3ClN4O2.Na/c7-3-1-2-4-8-9-5(6(12)13)11(4)10-3;/h1-2H,(H,12,13);/q;+1/p-1 |
| InChI Key | WNMOGTVHNVQMSJ-UHFFFAOYSA-M |
| MDL Number | MFCD28155131 |
| Molecular Formula | C6H2ClN4NaO2 |
| Molecular Weight | 220.5485 |
| SMILES | O=C(C1=NN=C2C=CC(Cl)=NN21)[O-].[Na+] |
| Synonyms | sodium 6-chloro-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylate,
1630906-50-1,
KS-000003XF,
MFCD28155131,
AKOS025289584,
SB10603,
AK170734,
CS-0048702,
1,2,4-Triazolo[4,3-b]pyridazine-3-carboxylic acid, 6-chloro-, sodium salt (1:1),
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.548g/mol |
| Monoisotopic Mass | 219.976g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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