| CAS Number | 1235439-97-0 |
| Catalog Number | AG01A8HS(AGN-PC-0WOBK7) |
| Chemical Name | 1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-sulfonyl chloride |
| IUPAC Name | 1,3-dimethylpyrazolo[3,4-b]pyridine-5-sulfonyl chloride |
| InChI | InChI=1S/C8H8ClN3O2S/c1-5-7-3-6(15(9,13)14)4-10-8(7)12(2)11-5/h3-4H,1-2H3 |
| InChI Key | MOLOPKIPWIMCPZ-UHFFFAOYSA-N |
| MDL Number | MFCD16040063 |
| Molecular Formula | C8H8ClN3O2S |
| Molecular Weight | 245.6860 |
| SMILES | CC1C2=C(N=CC(S(Cl)(=O)=O)=C2)N(C)N=1 |
| Synonyms | 1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-sulfonyl chloride,
1235439-97-0,
AC1Q409K,
MFCD16040063,
AKOS006239808,
ZINC100609756,
NE36423,
BS-14040,
EN300-61640,
F8881-3545,
|
| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.681g/mol |
| Monoisotopic Mass | 245.003g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 73.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number