| CAS Number | 1194974-72-5 |
| Catalog Number | AG0094C9(AGN-PC-0WA4NH) |
| Chemical Name | 1-Methanesulfonyl-2-morpholino-4-nitrobenzene |
| IUPAC Name | 4-(2-methylsulfonyl-5-nitrophenyl)morpholine |
| InChI | InChI=1S/C11H14N2O5S/c1-19(16,17)11-3-2-9(13(14)15)8-10(11)12-4-6-18-7-5-12/h2-3,8H,4-7H2,1H3 |
| InChI Key | LULWQIMQMAMWPX-UHFFFAOYSA-N |
| MDL Number | MFCD22689110 |
| Molecular Formula | C11H14N2O5S |
| Molecular Weight | 286.3043 |
| SMILES | CS(=O)(=O)c1ccc(cc1N1CCOCC1)[N+](=O)[O-] |
| Synonyms | 1-Methanesulfonyl-2-morpholino-4-nitrobenzene,
1194974-72-5,
SCHEMBL2627227,
ZINC95218026,
Z8094,
C11H14N2O5S,
|
| Complexity | 421 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.302g/mol |
| Monoisotopic Mass | 286.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number