| CAS Number | 1227494-16-7 |
| Catalog Number | AG01E7GJ |
| Chemical Name | 2-(trifluoromethyl)azepane hydrochloride |
| IUPAC Name | 2-(trifluoromethyl)azepane;hydrochloride |
| InChI | InChI=1S/C7H12F3N.ClH/c8-7(9,10)6-4-2-1-3-5-11-6;/h6,11H,1-5H2;1H |
| InChI Key | ZNYAGOHOVJJDSI-UHFFFAOYSA-N |
| MDL Number | MFCD30751488 |
| Molecular Formula | C7H13ClF3N |
| Molecular Weight | 203.6330 |
| SMILES | Cl.FC(C1NCCCCC1)(F)F |
| Synonyms | 2-(Trifluoromethyl)azepane hydrochloride,
1227494-16-7,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.633g/mol |
| Monoisotopic Mass | 203.069g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number