| CAS Number | 1820638-90-1 |
| Catalog Number | AG00I0LL(AGN-PC-0WOCCS) |
| Chemical Name | N-(4-Nitrophenyl)-N-propylmethanesulfonamide |
| IUPAC Name | N-(4-nitrophenyl)-N-propylmethanesulfonamide |
| InChI | InChI=1S/C10H14N2O4S/c1-3-8-11(17(2,15)16)9-4-6-10(7-5-9)12(13)14/h4-7H,3,8H2,1-2H3 |
| InChI Key | XCTOOKPFFUTRFN-UHFFFAOYSA-N |
| MDL Number | MFCD28122682 |
| Molecular Formula | C10H14N2O4S |
| Molecular Weight | 258.2942 |
| SMILES | CCCN(S(=O)(=O)C)c1ccc(cc1)[N+](=O)[O-] |
| Synonyms | N-(4-nitrophenyl)-N-propylmethanesulfonamide,
1820638-90-1,
SCHEMBL2999739,
ADAL1027761,
ZINC204993365,
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| Complexity | 350 |
| 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 | 4 |
| Topological Polar Surface Area | 91.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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