| CAS Number | 1146290-50-7 |
| Catalog Number | AG019UVI(AGN-PC-0WO0MA) |
| Chemical Name | 7-(trifluoromethyl)-1,4-diazepan-5-one |
| IUPAC Name | 7-(trifluoromethyl)-1,4-diazepan-5-one |
| InChI | InChI=1S/C6H9F3N2O/c7-6(8,9)4-3-5(12)11-2-1-10-4/h4,10H,1-3H2,(H,11,12) |
| InChI Key | QVMCGMZBBZFDED-UHFFFAOYSA-N |
| MDL Number | MFCD11858217 |
| Molecular Formula | C6H9F3N2O |
| Molecular Weight | 182.1437 |
| SMILES | FC(C1NCCNC(=O)C1)(F)F |
| Synonyms | 7-(trifluoromethyl)-1,4-diazepan-5-one,
1146290-50-7,
AC1Q4JIG,
CTK7B7034,
AKOS022705998,
NE24791,
EN300-42963,
AB01006749-01,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.146g/mol |
| Monoisotopic Mass | 182.067g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number