| CAS Number | 1803611-58-6 |
| Catalog Number | AG01BHQL |
| Chemical Name | 5-chloro-2-fluoro-4-nitrobenzene-1-sulfonamide |
| IUPAC Name | 5-chloro-2-fluoro-4-nitrobenzenesulfonamide |
| InChI | InChI=1S/C6H4ClFN2O4S/c7-3-1-6(15(9,13)14)4(8)2-5(3)10(11)12/h1-2H,(H2,9,13,14) |
| InChI Key | DZBGGKPVHZIMQL-UHFFFAOYSA-N |
| MDL Number | MFCD28145370 |
| Molecular Formula | C6H4ClFN2O4S |
| Molecular Weight | 254.6234 |
| SMILES | NS(C1=C(F)C=C([N+]([O-])=O)C(Cl)=C1)(=O)=O |
| Synonyms | 5-chloro-2-fluoro-4-nitrobenzene-1-sulfonamide,
1803611-58-6,
ZINC216656609,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.616g/mol |
| Monoisotopic Mass | 253.956g/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