| CAS Number | 93745-74-5 |
| Catalog Number | AG01B389(AGN-PC-02GOED) |
| Chemical Name | 3-Chloro-4-nitrobenzene-1-sulfonamide |
| IUPAC Name | 3-chloro-4-nitrobenzenesulfonamide |
| InChI | InChI=1S/C6H5ClN2O4S/c7-5-3-4(14(8,12)13)1-2-6(5)9(10)11/h1-3H,(H2,8,12,13) |
| InChI Key | GSRVYSLJJHIICB-UHFFFAOYSA-N |
| MDL Number | MFCD18393719 |
| Molecular Formula | C6H5ClN2O4S |
| Molecular Weight | 236.6329 |
| SMILES | NS(C1=CC(Cl)=C([N+]([O-])=O)C=C1)(=O)=O |
| Synonyms | 3-chloro-4-nitrobenzene-1-sulfonamide,
93745-74-5,
CHEMBL176299,
SCHEMBL8101212,
GSRVYSLJJHIICB-UHFFFAOYSA-N,
3-Chloro-4-nitrobenzenesulfonamide,
3-Chloro-4-nitrobenzenesulphonamide,
ZINC28022277,
AKOS017552392,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.626g/mol |
| Monoisotopic Mass | 235.966g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number