| CAS Number | 1309020-00-5 |
| Catalog Number | AG01DUBJ |
| Chemical Name | 1-[(2,2,2-trifluoroethoxy)carbonyl]pyrrolidine-2-carboxylic acid |
| IUPAC Name | 1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C8H10F3NO4/c9-8(10,11)4-16-7(15)12-3-1-2-5(12)6(13)14/h5H,1-4H2,(H,13,14) |
| InChI Key | LCFAZZGZAOLUNV-UHFFFAOYSA-N |
| MDL Number | MFCD14593923 |
| Molecular Formula | C8H10F3NO4 |
| Molecular Weight | 241.1645 |
| SMILES | OC(C1N(C(OCC(F)(F)F)=O)CCC1)=O |
| Synonyms | 1-[(2,2,2-trifluoroethoxy)carbonyl]pyrrolidine-2-carboxylic acid,
AC1Q74JP,
AKOS008148005,
MCULE-9248332779,
NE24437,
EN300-67352,
Z1259339877,
1309020-00-5,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.166g/mol |
| Monoisotopic Mass | 241.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number