| CAS Number | 1845698-50-1 |
| Catalog Number | AG00I1HT(AGN-PC-0WQWTP) |
| Chemical Name | N-(3-Methoxypropyl)-N-(2-nitrophenyl)methanesulfonamide |
| IUPAC Name | N-(3-methoxypropyl)-N-(2-nitrophenyl)methanesulfonamide |
| InChI | InChI=1S/C11H16N2O5S/c1-18-9-5-8-12(19(2,16)17)10-6-3-4-7-11(10)13(14)15/h3-4,6-7H,5,8-9H2,1-2H3 |
| InChI Key | PSABQYAQENCZDC-UHFFFAOYSA-N |
| MDL Number | MFCD28515391 |
| Molecular Formula | C11H16N2O5S |
| Molecular Weight | 288.3201 |
| SMILES | COCCCN(S(=O)(=O)C)c1ccccc1[N+](=O)[O-] |
| Synonyms | N-(3-Methoxypropyl)-N-(2-nitrophenyl)methanesulfonamide,
1845698-50-1,
ZINC252496798,
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| Complexity | 387 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.318g/mol |
| Monoisotopic Mass | 288.078g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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