| CAS Number | 405878-89-9 |
| Catalog Number | AG00CVQM(AGN-PC-0BGIGN) |
| Chemical Name | 2,5-Dioxopyrrolidin-1-YL 3,3,3-trifluoropropanoate |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3,3,3-trifluoropropanoate |
| InChI | InChI=1S/C7H6F3NO4/c8-7(9,10)3-6(14)15-11-4(12)1-2-5(11)13/h1-3H2 |
| InChI Key | MHXXDNMSJBMXNI-UHFFFAOYSA-N |
| MDL Number | MFCD09951808 |
| Molecular Formula | C7H6F3NO4 |
| Molecular Weight | 225.1220 |
| SMILES | FC(F)(F)CC(=O)ON1C(=O)CCC1=O |
| Synonyms | 2,5-DIOXOPYRROLIDIN-1-YL 3,3,3-TRIFLUOROPROPANOATE,
405878-89-9,
SCHEMBL1277899,
CTK8I6179,
MHXXDNMSJBMXNI-UHFFFAOYSA-N,
MFCD09951808,
ZINC100235223,
K-8657,
3,3,3-trifluoropropionic acid 2,5-dioxo-pyrrolidin-1-yl ester,
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| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.123g/mol |
| Monoisotopic Mass | 225.025g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number