| CAS Number | 1820665-16-4 |
| Catalog Number | AG00I0PZ |
| Chemical Name | N-Ethyl-N-(3-nitrophenyl)methanesulfonamide |
| IUPAC Name | N-ethyl-N-(3-nitrophenyl)methanesulfonamide |
| InChI | InChI=1S/C9H12N2O4S/c1-3-10(16(2,14)15)8-5-4-6-9(7-8)11(12)13/h4-7H,3H2,1-2H3 |
| InChI Key | KMINZYZEIGHLAP-UHFFFAOYSA-N |
| MDL Number | MFCD28122685 |
| Molecular Formula | C9H12N2O4S |
| Molecular Weight | 244.2676 |
| SMILES | CCN(S(=O)(=O)C)c1cccc(c1)[N+](=O)[O-] |
| Synonyms | N-ethyl-N-(3-nitrophenyl)methanesulfonamide,
1820665-16-4,
SCHEMBL4432422,
ZINC166893849,
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| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.265g/mol |
| Monoisotopic Mass | 244.052g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 91.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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