| CAS Number | 195433-54-6 |
| Catalog Number | AG00I3DV(AGN-PC-0O6K6C) |
| Chemical Name | N-Isopropyl-N-(2-nitrophenyl)methanesulfonamide |
| IUPAC Name | N-(2-nitrophenyl)-N-propan-2-ylmethanesulfonamide |
| InChI | InChI=1S/C10H14N2O4S/c1-8(2)11(17(3,15)16)9-6-4-5-7-10(9)12(13)14/h4-8H,1-3H3 |
| InChI Key | GEESNODPSMLCJA-UHFFFAOYSA-N |
| MDL Number | MFCD28096637 |
| Molecular Formula | C10H14N2O4S |
| Molecular Weight | 258.2942 |
| SMILES | CC(N(S(=O)(=O)C)c1ccccc1[N+](=O)[O-])C |
| Synonyms | N-Isopropyl-N-(2-nitrophenyl)methanesulfonamide,
195433-54-6,
AKOS026673601,
ZINC169725157,
Methanesulfonamide, N-(1-methylethyl)-N-(2-nitrophenyl)-,
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| Complexity | 369 |
| 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 | 2 |
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Certificate of Analysis
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