| CAS Number | 51765-56-1 |
| Catalog Number | AG01E4MP(AGN-PC-0OBK78) |
| Chemical Name | 4',6'-Dinitro-2'-phenoxymethanesulfonanilide |
| IUPAC Name | N-(2,4-dinitro-6-phenoxyphenyl)methanesulfonamide |
| InChI | InChI=1S/C13H11N3O7S/c1-24(21,22)14-13-11(16(19)20)7-9(15(17)18)8-12(13)23-10-5-3-2-4-6-10/h2-8,14H,1H3 |
| InChI Key | REBQHYRUDRMDOA-UHFFFAOYSA-N |
| MDL Number | MFCD19705035 |
| Molecular Formula | C13H11N3O7S |
| Molecular Weight | 353.3073 |
| SMILES | O=N(=O)C1=CC(OC=2C=CC=CC2)=C(NS(=O)(=O)C)C(=C1)N(=O)=O |
| Synonyms | N-(2,4-Dinitro-6-phenoxyphenyl)methanesulfonamide,
N-(2,4-Dinitro-6-phenoxyphenyl)methanesulphonamide,
51765-56-1,
|
| Complexity | 560 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 353.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.305g/mol |
| Monoisotopic Mass | 353.032g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 155A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number