| CAS Number | 1094737-95-7 |
| Catalog Number | AG01EH64 |
| Chemical Name | N-Ethyl-2-methoxy-5-nitrobenzenesulfonamide |
| IUPAC Name | N-ethyl-2-methoxy-5-nitrobenzenesulfonamide |
| InChI | InChI=1S/C9H12N2O5S/c1-3-10-17(14,15)9-6-7(11(12)13)4-5-8(9)16-2/h4-6,10H,3H2,1-2H3 |
| InChI Key | SRGVOCCSQYZPAK-UHFFFAOYSA-N |
| MDL Number | MFCD11618487 |
| Molecular Formula | C9H12N2O5S |
| Molecular Weight | 260.2670 |
| SMILES | CCNS(=O)(=O)c1cc(ccc1OC)[N+](=O)[O-] |
| Synonyms | N-ethyl-2-methoxy-5-nitrobenzenesulfonamide,
1094737-95-7,
AKOS009053682,
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| Complexity | 359 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.264g/mol |
| Monoisotopic Mass | 260.047g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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