| CAS Number | 1445700-01-5 |
| Catalog Number | AG00ATAC |
| Chemical Name | TFMB-(R)-2-HG |
| IUPAC Name | [3-(trifluoromethyl)phenyl]methyl (2R)-5-oxooxolane-2-carboxylate |
| InChI | InChI=1S/C13H11F3O4/c14-13(15,16)9-3-1-2-8(6-9)7-19-12(18)10-4-5-11(17)20-10/h1-3,6,10H,4-5,7H2/t10-/m1/s1 |
| InChI Key | UXTLNUGKDZMPTC-SNVBAGLBSA-N |
| MDL Number | MFCD29770805 |
| Molecular Formula | C13H11F3O4 |
| Molecular Weight | 288.2192 |
| SMILES | O=C1CC[C@@H](O1)C(=O)OCc1cccc(c1)C(F)(F)F |
| Synonyms | TFMB-(R)-2-HG,
1445700-01-5,
AOB2854,
SYN5143,
C13H11F3O4,
(R)-alpha-TFMB-OTC, AldrichCPR,
ZINC215943695,
AS-16507,
TFMB-R-2-HG,
UXTLNUGKDZMPTC-SNVBAGLBSA-N,
|
| Complexity | 380 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.222g/mol |
| Monoisotopic Mass | 288.061g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number