CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 203.67 Ų [M-H-CO2]- [CCS Type: DT; Buffer gas: N2; Dataset: PFAS] 226.12 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Dataset: PFAS] |
|---|---|
| Chemical Classes | PFAS |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H314:Skin corrosion/irritation H412:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P310:Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 814.13 g/mol |
|---|---|
| XLogP3 | 10.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 33 |
| Rotatable Bond Count | 14 |
| Exact Mass | 813.9481523 g/mol |
| Monoisotopic Mass | 813.9481523 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 49 |
| Formal Charge | 0 |
| Complexity | 1250 |
| 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 |