| CAS Number | 2095409-35-9 |
| Catalog Number | AG01E8V2 |
| Chemical Name | 7-(trifluoromethyl)-1,4-oxazepane hydrochloride |
| IUPAC Name | 7-(trifluoromethyl)-1,4-oxazepane;hydrochloride |
| InChI | InChI=1S/C6H10F3NO.ClH/c7-6(8,9)5-1-2-10-3-4-11-5;/h5,10H,1-4H2;1H |
| InChI Key | CQGSSZGNEAOROD-UHFFFAOYSA-N |
| MDL Number | MFCD30730632 |
| Molecular Formula | C6H11ClF3NO |
| Molecular Weight | 205.6058 |
| SMILES | Cl.FC(C1OCCNCC1)(F)F |
| Synonyms | 7-(Trifluoromethyl)-1,4-oxazepane hydrochloride,
2095409-35-9,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.605g/mol |
| Monoisotopic Mass | 205.048g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number