| CAS Number | 827614-71-1 |
| Catalog Number | AG01F7LX(AGN-PC-3H4988) |
| Chemical Name | Ethyl 2-[ethoxycarbonylimino]-3,3,3-trifluoro-propionate |
| IUPAC Name | ethyl (2Z)-2-ethoxycarbonylimino-3,3,3-trifluoropropanoate |
| InChI | InChI=1S/C8H10F3NO4/c1-3-15-6(13)5(8(9,10)11)12-7(14)16-4-2/h3-4H2,1-2H3/b12-5- |
| InChI Key | PWYYIAKBASUUEE-XGICHPGQSA-N |
| MDL Number | MFCD08461802 |
| Molecular Formula | C8H10F3NO4 |
| Molecular Weight | 241.1645 |
| SMILES | CCOC(=O)/N=C(\C(F)(F)F)/C(=O)OCC |
| Synonyms | Ethyl 2-[ethoxycarbonylimino]-3,3,3-trifluoro-propionate,
827614-71-1,
AC1O2FZW,
AKOS024388243,
ST51042077,
ethyl (2Z)-2-ethoxycarbonylimino-3,3,3-trifluoropropanoate,
diethyl (2Z)-2-(trifluoromethyl)-3-azabut-2-ene-1,4-dioate,
ZINC02548163,
CID6197801,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 241.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.166g/mol |
| Monoisotopic Mass | 241.056g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 65A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number