| CAS Number | 1481595-14-5 |
| Catalog Number | AG01B9WQ |
| Chemical Name | 5-chloro-2-methoxy-3-(methylcarbamoyl)benzene-1-sulfonyl chloride |
| IUPAC Name | 5-chloro-2-methoxy-3-(methylcarbamoyl)benzenesulfonyl chloride |
| InChI | InChI=1S/C9H9Cl2NO4S/c1-12-9(13)6-3-5(10)4-7(8(6)16-2)17(11,14)15/h3-4H,1-2H3,(H,12,13) |
| InChI Key | BYEHDACQOCMNTN-UHFFFAOYSA-N |
| MDL Number | MFCD21224286 |
| Molecular Formula | C9H9Cl2NO4S |
| Molecular Weight | 298.1431 |
| SMILES | CNC(C1=C(OC)C(S(Cl)(=O)=O)=CC(Cl)=C1)=O |
| Synonyms | 5-chloro-2-methoxy-3-(methylcarbamoyl)benzene-1-sulfonyl chloride,
1481595-14-5,
AKOS014703310,
ZINC114559988,
|
| Complexity | 381 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.134g/mol |
| Monoisotopic Mass | 296.963g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number