| CAS Number | 1314921-23-7 |
| Catalog Number | AG01AJ0R(AGN-PC-0WO2Y5) |
| Chemical Name | 1H-Pyrazolo[3,4-b]pyridine-3-sulfonyl chloride |
| IUPAC Name | 2H-pyrazolo[3,4-b]pyridine-3-sulfonyl chloride |
| InChI | InChI=1S/C6H4ClN3O2S/c7-13(11,12)6-4-2-1-3-8-5(4)9-10-6/h1-3H,(H,8,9,10) |
| InChI Key | BRWSCLIIHQUTSP-UHFFFAOYSA-N |
| MDL Number | MFCD19201233 |
| Molecular Formula | C6H4ClN3O2S |
| Molecular Weight | 217.6329 |
| SMILES | N1N=C(C=2C1=NC=CC2)S(=O)(=O)Cl |
| Synonyms | 1H-pyrazolo[3,4-b]pyridine-3-sulfonyl chloride,
EN300-79508,
1314921-23-7,
SCHEMBL10047546,
FCH927554,
AKOS006336905,
ZINC100634674,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.627g/mol |
| Monoisotopic Mass | 216.971g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 84.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number