| CAS Number | 1365941-51-0 |
| Catalog Number | AG01AL65 |
| Chemical Name | 5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-3-sulfonyl chloride |
| IUPAC Name | 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride |
| InChI | InChI=1S/C6H7ClN2O3S/c7-13(10,11)5-4-8-9-2-1-3-12-6(5)9/h4H,1-3H2 |
| InChI Key | CJIQNDKNUMZXBZ-UHFFFAOYSA-N |
| MDL Number | MFCD21601503 |
| Molecular Formula | C6H7ClN2O3S |
| Molecular Weight | 222.6494 |
| SMILES | ClS(C1=C2N(CCCO2)N=C1)(=O)=O |
| Synonyms | 5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-3-sulfonyl chloride,
1365941-51-0,
SCHEMBL20400736,
AKOS024093604,
ZINC103635184,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.643g/mol |
| Monoisotopic Mass | 221.987g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number