| CAS Number | 90650-30-9 |
| Catalog Number | AG01A1P4 |
| Chemical Name | 2-Chloro-5-(dimethylcarbamoyl)benzene-1-sulfonyl chloride |
| IUPAC Name | 2-chloro-5-(dimethylcarbamoyl)benzenesulfonyl chloride |
| InChI | InChI=1S/C9H9Cl2NO3S/c1-12(2)9(13)6-3-4-7(10)8(5-6)16(11,14)15/h3-5H,1-2H3 |
| InChI Key | CXWJULIUIKXPBV-UHFFFAOYSA-N |
| MDL Number | MFCD11650707 |
| Molecular Formula | C9H9Cl2NO3S |
| Molecular Weight | 282.1437 |
| SMILES | CN(C(C1=CC(S(Cl)(=O)=O)=C(Cl)C=C1)=O)C |
| Synonyms | 2-chloro-5-(dimethylcarbamoyl)benzene-1-sulfonyl chloride,
90650-30-9,
SCHEMBL1925386,
ZINC59222032,
AKOS009385024,
NE38421,
|
| Complexity | 363 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.135g/mol |
| Monoisotopic Mass | 280.968g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number