| CAS Number | 2044705-95-3 |
| Catalog Number | AG01BVC2 |
| Chemical Name | rac-methyl (2r,5s)-5-[4-(trifluoromethyl)phenyl]oxolane-2-carboxylate |
| IUPAC Name | methyl (2S,5R)-5-[4-(trifluoromethyl)phenyl]oxolane-2-carboxylate |
| InChI | InChI=1S/C13H13F3O3/c1-18-12(17)11-7-6-10(19-11)8-2-4-9(5-3-8)13(14,15)16/h2-5,10-11H,6-7H2,1H3/t10-,11+/m1/s1 |
| InChI Key | MJPNDBIPJQNUCT-MNOVXSKESA-N |
| MDL Number | MFCD29033858 |
| Molecular Formula | C13H13F3O3 |
| Molecular Weight | 274.2357 |
| SMILES | COC([C@H]1O[C@@H](C2=CC=C(C(F)(F)F)C=C2)CC1)=O |
| Synonyms | ZINC82162886,
AKOS034811397,
rac-methyl (2R,5S)-5-[4-(trifluoromethyl)phenyl]oxolane-2-carboxylate, cis,
2044705-95-3,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.239g/mol |
| Monoisotopic Mass | 274.082g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number