| CAS Number | 81593-03-5 |
| Catalog Number | AG019TQS |
| Chemical Name | 3-acetamido-4-hydroxybenzene-1-sulfonyl chloride |
| IUPAC Name | 3-acetamido-4-hydroxybenzenesulfonyl chloride |
| InChI | InChI=1S/C8H8ClNO4S/c1-5(11)10-7-4-6(15(9,13)14)2-3-8(7)12/h2-4,12H,1H3,(H,10,11) |
| InChI Key | HILYVPKOARFEQZ-UHFFFAOYSA-N |
| MDL Number | MFCD19200902 |
| Molecular Formula | C8H8ClNO4S |
| Molecular Weight | 249.6714 |
| SMILES | CC(NC1=C(O)C=CC(S(Cl)(=O)=O)=C1)=O |
| Synonyms | 3-acetamido-4-hydroxybenzene-1-sulfonyl chloride,
81593-03-5,
AKOS006333096,
ZINC100655850,
NE33685,
|
| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.665g/mol |
| Monoisotopic Mass | 248.986g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number