| CAS Number | 1016522-59-0 |
| Catalog Number | AG01BA1D |
| Chemical Name | 3-[(2-methoxyethyl)carbamoyl]benzene-1-sulfonyl chloride |
| IUPAC Name | 3-(2-methoxyethylcarbamoyl)benzenesulfonyl chloride |
| InChI | InChI=1S/C10H12ClNO4S/c1-16-6-5-12-10(13)8-3-2-4-9(7-8)17(11,14)15/h2-4,7H,5-6H2,1H3,(H,12,13) |
| InChI Key | AJTHTMQVVZOTJZ-UHFFFAOYSA-N |
| MDL Number | MFCD09806761 |
| Molecular Formula | C10H12ClNO4S |
| Molecular Weight | 277.7246 |
| SMILES | COCCNC(C1=CC(S(Cl)(=O)=O)=CC=C1)=O |
| Synonyms | 3-[(2-METHOXYETHYL)CARBAMOYL]BENZENE-1-SULFONYL CHLORIDE,
1016522-59-0,
CTK7B3415,
AKOS000164642,
ZINC100597290,
|
| Complexity | 352 |
| 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 | 5 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number