| CAS Number | 1147680-82-7 |
| Catalog Number | AG00HCWP(AGN-PC-0WG45G) |
| Chemical Name | 4-((2-Methoxy-4-Nitrophenyl)Sulfonyl)Morpholine |
| IUPAC Name | 4-(2-methoxy-4-nitrophenyl)sulfonylmorpholine |
| InChI | InChI=1S/C11H14N2O6S/c1-18-10-8-9(13(14)15)2-3-11(10)20(16,17)12-4-6-19-7-5-12/h2-3,8H,4-7H2,1H3 |
| InChI Key | QHWWGRCEEUQOEZ-UHFFFAOYSA-N |
| MDL Number | MFCD13295583 |
| Molecular Formula | C11H14N2O6S |
| Molecular Weight | 302.3037 |
| SMILES | COc1cc(ccc1S(=O)(=O)N1CCOCC1)[N+]([O-])=O |
| Synonyms | 4-((2-Methoxy-4-nitrophenyl)sulfonyl)morpholine,
1147680-82-7,
SCHEMBL16305329,
MFCD13295583,
ZINC32401333,
AKOS009401698,
MCULE-9494611202,
CS-0037187,
4-(2-methoxy-4-nitrobenzenesulfonyl)morpholine,
AB00998459-01,
Z408146324,
4-(2-methoxy-4-nitrophenyl)sulfonylmorpholine,
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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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number