| CAS Number | 1000932-58-0 |
| Catalog Number | AG019LAW |
| Chemical Name | 4-(Dimethylsulfamoyl)-2-nitrobenzene-1-sulfonyl chloride |
| IUPAC Name | 4-(dimethylsulfamoyl)-2-nitrobenzenesulfonyl chloride |
| InChI | InChI=1S/C8H9ClN2O6S2/c1-10(2)19(16,17)6-3-4-8(18(9,14)15)7(5-6)11(12)13/h3-5H,1-2H3 |
| InChI Key | JMPGNWKXMDCHET-UHFFFAOYSA-N |
| MDL Number | MFCD09863383 |
| Molecular Formula | C8H9ClN2O6S2 |
| Molecular Weight | 328.7499 |
| SMILES | CN(S(C1=CC([N+]([O-])=O)=C(S(Cl)(=O)=O)C=C1)(=O)=O)C |
| Synonyms | 4-(dimethylsulfamoyl)-2-nitrobenzene-1-sulfonyl chloride,
1000932-58-0,
4-[(dimethylamino)sulfonyl]-2-nitrobenzenesulfonyl chloride,
AC1Q3WY8,
CTK5I2729,
AKOS005946074,
ZINC100567433,
MCULE-4812214129,
NE44267,
EN300-30643,
|
| Complexity | 541 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 327.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.738g/mol |
| Monoisotopic Mass | 327.959g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 134A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number