| CAS Number | 933740-94-4 |
| Catalog Number | AG00JIFB(AGN-PC-0WCN3H) |
| Chemical Name | isoxazole-4-sulfonyl chloride |
| IUPAC Name | 1,2-oxazole-4-sulfonyl chloride |
| InChI | InChI=1S/C3H2ClNO3S/c4-9(6,7)3-1-5-8-2-3/h1-2H |
| InChI Key | QTUGUGPSTFTDBR-UHFFFAOYSA-N |
| MDL Number | MFCD09803793 |
| Molecular Formula | C3H2ClNO3S |
| Molecular Weight | 167.5709 |
| SMILES | O=S(C1=CON=C1)(Cl)=O |
| Synonyms | 1,2-oxazole-4-sulfonyl chloride,
isoxazole-4-sulfonyl chloride,
933740-94-4,
AC1Q3VNB,
SCHEMBL3002509,
MFCD09803793,
AKOS000164145,
ZINC100492501,
BS-12989,
EN300-70482,
L-4250,
F2158-1663,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.563g/mol |
| Monoisotopic Mass | 166.944g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number