| CAS Number | 1803591-20-9 |
| Catalog Number | AG01B9BV |
| Chemical Name | ethyl 6-(chlorosulfonyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate |
| IUPAC Name | ethyl 6-chlorosulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate |
| InChI | InChI=1S/C8H7ClN4O4S/c1-2-17-7(14)6-11-8-10-3-5(18(9,15)16)4-13(8)12-6/h3-4H,2H2,1H3 |
| InChI Key | FAADPSSFFKLRJR-UHFFFAOYSA-N |
| MDL Number | MFCD28397397 |
| Molecular Formula | C8H7ClN4O4S |
| Molecular Weight | 290.6836 |
| SMILES | CCOC(C1=NN2C(N=CC(S(Cl)(=O)=O)=C2)=N1)=O |
| Synonyms | ethyl 6-(chlorosulfonyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate,
1803591-20-9,
ZINC238851093,
|
| Complexity | 425 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.988g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.678g/mol |
| Monoisotopic Mass | 289.988g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number