| CAS Number | 1955474-28-8 |
| Catalog Number | AG01C5IU |
| Chemical Name | 4-(3-fluoro-5-nitrophenyl)-2,6-dimethylmorpholine, cis |
| IUPAC Name | (2S,6R)-4-(3-fluoro-5-nitrophenyl)-2,6-dimethylmorpholine |
| InChI | InChI=1S/C12H15FN2O3/c1-8-6-14(7-9(2)18-8)11-3-10(13)4-12(5-11)15(16)17/h3-5,8-9H,6-7H2,1-2H3/t8-,9+ |
| InChI Key | PPPZBHGHOGBOEF-DTORHVGOSA-N |
| MDL Number | MFCD29991391 |
| Molecular Formula | C12H15FN2O3 |
| Molecular Weight | 254.2575 |
| SMILES | C[C@@H]1O[C@H](C)CN(C2=CC([N+]([O-])=O)=CC(F)=C2)C1 |
| Synonyms | ZINC157894760,
SEL13178443,
EN300-263832,
4-(3-fluoro-5-nitrophenyl)-2,6-dimethylmorpholine, cis,
1955474-28-8,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.261g/mol |
| Monoisotopic Mass | 254.107g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number