| CAS Number | 31150-99-9 |
| Catalog Number | AG00BNTY(AGN-PC-0KWR1T) |
| Chemical Name | 2-Chloro-4-nitrobenzenesulfonamide |
| IUPAC Name | 2-chloro-4-nitrobenzenesulfonamide |
| InChI | InChI=1S/C6H5ClN2O4S/c7-5-3-4(9(10)11)1-2-6(5)14(8,12)13/h1-3H,(H2,8,12,13) |
| InChI Key | QHVQQUVAILWCLB-UHFFFAOYSA-N |
| MDL Number | MFCD00454356 |
| Molecular Formula | C6H5ClN2O4S |
| Molecular Weight | 236.6329 |
| SMILES | NS(C1=C(Cl)C=C([N+]([O-])=O)C=C1)(=O)=O |
| Synonyms | 2-chloro-4-nitrobenzenesulfonamide,
31150-99-9,
Benzenesulfonamide, 2-chloro-4-nitro-,
AC1MS05A,
SCHEMBL2025933,
CTK1B9978,
DTXSID20393805,
ZINC3162444,
MFCD00454356,
STK368198,
AKOS000141183,
MCULE-3575806694,
2-chloro-4-nitro-benzenesulfonic acid amide,
CS-0060327,
FT-0698212,
ST51057616,
ZINC03162444,
CID3576564,
|
| 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 | 0.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number