| CAS Number | 1803562-29-9 |
| Catalog Number | AG01BA0K |
| Chemical Name | methyl 2,2,2-trifluoroethyl oxalate |
| IUPAC Name | 1-O-methyl 2-O-(2,2,2-trifluoroethyl) oxalate |
| InChI | InChI=1S/C5H5F3O4/c1-11-3(9)4(10)12-2-5(6,7)8/h2H2,1H3 |
| InChI Key | QSNCGGSHECUXPJ-UHFFFAOYSA-N |
| MDL Number | MFCD28505714 |
| Molecular Formula | C5H5F3O4 |
| Molecular Weight | 186.0860 |
| SMILES | COC(C(OCC(F)(F)F)=O)=O |
| Synonyms | methyl 2,2,2-trifluoroethyl oxalate,
1803562-29-9,
ZINC238855210,
J3.595.866E,
Oxalic acid 1-methyl 2-(2,2,2-trifluoroethyl) ester,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.086g/mol |
| Monoisotopic Mass | 186.014g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number