CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 137.99 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Dataset: PFAS] |
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Chemical Classes | PFAS |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Corrosion Corrosives GHS05 |
GHS Hazard Statements |
H314:Skin corrosion/irritation |
Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
Molecular Weight | 316.10 g/mol |
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XLogP3 | 2.4 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 13 |
Rotatable Bond Count | 4 |
Exact Mass | 315.94518314 g/mol |
Monoisotopic Mass | 315.94518314 g/mol |
Topological Polar Surface Area | 72 Ų |
Heavy Atom Count | 18 |
Formal Charge | 0 |
Complexity | 403 |
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 |