| CAS Number | 466684-90-2 |
| Catalog Number | AG019RPY(AGN-PC-01LX78) |
| Chemical Name | Bis(2,2,2-trifluoroethyl) oxalate |
| IUPAC Name | bis(2,2,2-trifluoroethyl) oxalate |
| InChI | InChI=1S/C6H4F6O4/c7-5(8,9)1-15-3(13)4(14)16-2-6(10,11)12/h1-2H2 |
| InChI Key | KFNYICCKYQCHKE-UHFFFAOYSA-N |
| MDL Number | MFCD18380784 |
| Molecular Formula | C6H4F6O4 |
| Molecular Weight | 254.0840 |
| SMILES | C(C(F)(F)F)OC(=O)C(=O)OCC(F)(F)F |
| Synonyms | bis(2,2,2-trifluoroethyl) oxalate,
466684-90-2,
AC1Q4K8D,
di-(trifluoroethyl) oxalate,
SCHEMBL1143909,
ZINC60280141,
EN300-90151,
J3.595.870C,
Oxalic acid bis(2,2,2-trifluoroethyl) ester,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.084g/mol |
| Monoisotopic Mass | 254.001g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number