| CAS Number | 1325980-50-4 |
| Catalog Number | AG01EH8V |
| Chemical Name | 4-[(2-Methoxy-5-nitrobenzene)sulfonyl]morpholine |
| IUPAC Name | 4-(2-methoxy-5-nitrophenyl)sulfonylmorpholine |
| InChI | InChI=1S/C11H14N2O6S/c1-18-10-3-2-9(13(14)15)8-11(10)20(16,17)12-4-6-19-7-5-12/h2-3,8H,4-7H2,1H3 |
| InChI Key | ZRFCUQUUCAMULC-UHFFFAOYSA-N |
| MDL Number | MFCD17572903 |
| Molecular Formula | C11H14N2O6S |
| Molecular Weight | 302.3037 |
| SMILES | O=S(N1CCOCC1)(C2=CC([N+]([O-])=O)=CC=C2OC)=O |
| Synonyms | 4-[(2-Methoxy-5-nitrobenzene)sulfonyl]morpholine,
1325980-50-4,
AKOS008924003,
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| Complexity | 437 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.301g/mol |
| Monoisotopic Mass | 302.057g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
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