| CAS Number | 1803592-65-5 |
| Catalog Number | AG01BEGG |
| Chemical Name | 3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine; trifluoroacetic acid |
| IUPAC Name | 3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C7H11N3O2.C2HF3O2/c1-5-9-10-7(12-5)6-4-11-3-2-8-6;3-2(4,5)1(6)7/h6,8H,2-4H2,1H3;(H,6,7) |
| InChI Key | NBWNRDQWKVGRMC-UHFFFAOYSA-N |
| MDL Number | MFCD28064007 |
| Molecular Formula | C9H12F3N3O4 |
| Molecular Weight | 283.2045 |
| SMILES | CC1OC(C2NCCOC2)=NN=1.OC(C(F)(F)F)=O |
| Synonyms | 1803592-65-5,
3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine, trifluoroacetic acid,
3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine; trifluoroacetic acid,
NE61390,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.207g/mol |
| Monoisotopic Mass | 283.078g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 97.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number