| CAS Number | 59481-21-9 |
| Catalog Number | AG01BA0W |
| Chemical Name | 3-bromo-5-nitrobenzene-1-sulfonamide |
| IUPAC Name | 3-bromo-5-nitrobenzenesulfonamide |
| InChI | InChI=1S/C6H5BrN2O4S/c7-4-1-5(9(10)11)3-6(2-4)14(8,12)13/h1-3H,(H2,8,12,13) |
| InChI Key | OLIXTEIZCSKSME-UHFFFAOYSA-N |
| MDL Number | MFCD18392269 |
| Molecular Formula | C6H5BrN2O4S |
| Molecular Weight | 281.0839 |
| SMILES | O=S(C1=CC([N+]([O-])=O)=CC(Br)=C1)(N)=O |
| Synonyms | 3-bromo-5-nitrobenzenesulfonamide,
59481-21-9,
3-bromo-5-nitrobenzene-1-sulfonamide,
SCHEMBL11685973,
ZINC66568871,
AKOS013134268,
FT-0737659,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.915g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.08g/mol |
| Monoisotopic Mass | 279.915g/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