| CAS Number | 57678-03-2 |
| Catalog Number | AG00EEGN(AGN-PC-0SO67T) |
| Chemical Name | Mono[2-(perfluorooctyl)ethyl] Phosphate |
| IUPAC Name | 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl phosphate |
| InChI | InChI=1S/C10H6F17O4P/c11-3(12,1-2-31-32(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2,(H2,28,29,30)/p-2 |
| InChI Key | MIABSAQIFYEDJP-UHFFFAOYSA-L |
| MDL Number | MFCD07772053 |
| Molecular Formula | C10H6F17O4P |
| Molecular Weight | 544.0989 |
| SMILES | OP(=O)(O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| Synonyms | MONO-[2-(PERFLUOROOCTYL)ETHYL]PHOSPHATE,
57678-03-2,
CTK1G8810,
AKOS030242482,
FT-0672498,
Mono[2-(perfluorooctyl)ethyl] Phosphate,
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| Complexity | 712 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 541.958g/mol |
| Formal Charge | -2 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 21 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 542.085g/mol |
| Monoisotopic Mass | 541.958g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 72.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number