| CAS Number | 2090998-14-2 |
| Catalog Number | AG01BTPV |
| Chemical Name | 2-methyl-7-(trifluoromethyl)-1,4-oxazepane |
| IUPAC Name | 2-methyl-7-(trifluoromethyl)-1,4-oxazepane |
| InChI | InChI=1S/C7H12F3NO/c1-5-4-11-3-2-6(12-5)7(8,9)10/h5-6,11H,2-4H2,1H3 |
| InChI Key | OPZMNTLJZPVLJS-UHFFFAOYSA-N |
| MDL Number | MFCD30730693 |
| Molecular Formula | C7H12F3NO |
| Molecular Weight | 183.1715 |
| SMILES | CC1OC(C(F)(F)F)CCNC1 |
| Synonyms | 2-Methyl-7-(trifluoromethyl)-1,4-oxazepane,
2090998-14-2,
2-methyl-7-(trifluoromethyl)-1,4-oxazepane, Mixture of diastereomers,
|
| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.174g/mol |
| Monoisotopic Mass | 183.087g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number