CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 2459 |
|---|
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Environment GHS09 |
| GHS Hazard Statements |
H331:Acute toxicity,inhalation H400:Hazardous to the aquatic environment, acute hazard |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P273:Avoid release to the environment. P311:Call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 300.3 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 300.13615911 g/mol |
| Monoisotopic Mass | 300.13615911 g/mol |
| Topological Polar Surface Area | 36.9 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 308 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |