| CAS Number | 238431-33-9 |
| Catalog Number | AG01BHEX |
| Chemical Name | rac-(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid, trans |
| IUPAC Name | (1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C11H9F3O3/c12-11(13,14)17-7-3-1-6(2-4-7)8-5-9(8)10(15)16/h1-4,8-9H,5H2,(H,15,16)/t8-,9+/m0/s1 |
| InChI Key | IYYOCNQIQCLRHF-DTWKUNHWSA-N |
| MDL Number | MFCD30503021 |
| Molecular Formula | C11H9F3O3 |
| Molecular Weight | 246.1826 |
| SMILES | OC(=O)[C@@H]1C[C@H]1c1ccc(cc1)OC(F)(F)F |
| Synonyms | SCHEMBL6997931,
ZINC37380726,
EN300-195336,
rac-(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid, trans,
238431-33-9,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.185g/mol |
| Monoisotopic Mass | 246.05g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number