| CAS Number | 926225-21-0 |
| Catalog Number | AG019UZJ |
| Chemical Name | 5-(Acetamidomethyl)-2-methoxybenzene-1-sulfonyl chloride |
| IUPAC Name | 5-(acetamidomethyl)-2-methoxybenzenesulfonyl chloride |
| InChI | InChI=1S/C10H12ClNO4S/c1-7(13)12-6-8-3-4-9(16-2)10(5-8)17(11,14)15/h3-5H,6H2,1-2H3,(H,12,13) |
| InChI Key | GEQTWTGHANYCRD-UHFFFAOYSA-N |
| MDL Number | MFCD09049329 |
| Molecular Formula | C10H12ClNO4S |
| Molecular Weight | 277.7246 |
| SMILES | COC1=C(S(Cl)(=O)=O)C=C(CNC(C)=O)C=C1 |
| Synonyms | 5-(acetamidomethyl)-2-methoxybenzene-1-sulfonyl chloride,
926225-21-0,
AC1Q44VZ,
CTK7A7451,
AKOS000132876,
ZINC100517219,
EN300-43308,
|
| Complexity | 365 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.719g/mol |
| Monoisotopic Mass | 277.018g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number