CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid with a penetrating odor; [Merck Index] |
|---|---|
| Chemical Classes | Other Classes -> Halogenated Ketones |
COMPUTED DESCRIPTORS
| Molecular Weight | 452.56 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 451.59033 g/mol |
| Monoisotopic Mass | 447.59443 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 114 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |