| CAS Number | 1178475-48-3 |
| Catalog Number | AG01AG2H |
| Chemical Name | 5-bromo-N-cyclopropyl-2-nitrobenzene-1-sulfonamide |
| IUPAC Name | 5-bromo-N-cyclopropyl-2-nitrobenzenesulfonamide |
| InChI | InChI=1S/C9H9BrN2O4S/c10-6-1-4-8(12(13)14)9(5-6)17(15,16)11-7-2-3-7/h1,4-5,7,11H,2-3H2 |
| InChI Key | RHTUUXBRIOMZIV-UHFFFAOYSA-N |
| MDL Number | MFCD12908602 |
| Molecular Formula | C9H9BrN2O4S |
| Molecular Weight | 321.1478 |
| SMILES | [O-][N+](C1=C(S(NC2CC2)(=O)=O)C=C(Br)C=C1)=O |
| Synonyms | 5-bromo-N-cyclopropyl-2-nitrobenzene-1-sulfonamide,
1178475-48-3,
ZINC38039577,
AKOS005810098,
NE55417,
|
| Complexity | 398 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.947g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.145g/mol |
| Monoisotopic Mass | 319.947g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number