| CAS Number | 1394765-89-9 |
| Catalog Number | AG009X78(AGN-PC-0WAEM0) |
| Chemical Name | N-Isopropyl-N-methyl-4-nitrobenzenesulfonamide |
| IUPAC Name | N-methyl-4-nitro-N-propan-2-ylbenzenesulfonamide |
| InChI | InChI=1S/C10H14N2O4S/c1-8(2)11(3)17(15,16)10-6-4-9(5-7-10)12(13)14/h4-8H,1-3H3 |
| InChI Key | PGJRTWMOAUOYCV-UHFFFAOYSA-N |
| MDL Number | MFCD22574954 |
| Molecular Formula | C10H14N2O4S |
| Molecular Weight | 258.2942 |
| SMILES | CC(N(S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C)C |
| Synonyms | N-ISOPROPYL-N-METHYL-4-NITROBENZENESULFONAMIDE,
1394765-89-9,
KM4049,
ZINC78477897,
AKOS026673218,
MCULE-7243893260,
V2974,
Z45539739,
N-methyl-4-nitro-N-(propan-2-yl)benzene-1-sulfonamide,
C10H14N2O4S,
|
| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.292g/mol |
| Monoisotopic Mass | 258.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 91.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number