| CAS Number | 106840-81-7 |
| Catalog Number | AG01EH8Y |
| Chemical Name | 2-Methoxy-N-methyl-5-nitrobenzenesulfonamide |
| IUPAC Name | 2-methoxy-N-methyl-5-nitrobenzenesulfonamide |
| InChI | InChI=1S/C8H10N2O5S/c1-9-16(13,14)8-5-6(10(11)12)3-4-7(8)15-2/h3-5,9H,1-2H3 |
| InChI Key | NMAGMLURYJERAC-UHFFFAOYSA-N |
| MDL Number | MFCD11115682 |
| Molecular Formula | C8H10N2O5S |
| Molecular Weight | 246.2404 |
| SMILES | CNS(C1=C(OC)C=CC([N+]([O-])=O)=C1)(=O)=O |
| Synonyms | 2-methoxy-N-methyl-5-nitrobenzenesulfonamide,
106840-81-7,
AKOS009053402,
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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 | 246.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.237g/mol |
| Monoisotopic Mass | 246.031g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
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