CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 233.93 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Dataset: PFAS] |
|---|---|
| Chemical Classes | PFAS |
COMPUTED DESCRIPTORS
| Molecular Weight | 790.17 g/mol |
|---|---|
| XLogP3 | 8.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 30 |
| Rotatable Bond Count | 16 |
| Exact Mass | 789.9823280 g/mol |
| Monoisotopic Mass | 789.9823280 g/mol |
| Topological Polar Surface Area | 55.8 Ų |
| Heavy Atom Count | 47 |
| Formal Charge | 0 |
| Complexity | 1050 |
| 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 |
PRODUCT INTRODUCTION
description
Bisperfluorooctyl phosphate is a dialkyl phosphate in which the alkyl group specified is perfluorooctyl. It has a role as a xenobiotic and an environmental contaminant. It is a dialkyl phosphate and an organofluorine compound.