| CAS Number | 157518-49-5 |
| Catalog Number | AG01DXDZ |
| Chemical Name | rel-(1R,2R)-2-(2-(Trifluoromethyl)phenyl)cyclopropane-1-carboxylic acid |
| IUPAC Name | (1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C11H9F3O2/c12-11(13,14)9-4-2-1-3-6(9)7-5-8(7)10(15)16/h1-4,7-8H,5H2,(H,15,16)/t7-,8+/m0/s1 |
| InChI Key | SHCKKENSUDTLMS-JGVFFNPUSA-N |
| MDL Number | MFCD30749903 |
| Molecular Formula | C11H9F3O2 |
| Molecular Weight | 230.1832 |
| SMILES | O=C([C@H]1[C@H](C2=CC=CC=C2C(F)(F)F)C1)O |
| Synonyms | SCHEMBL324565,
ZINC36056708,
AS-73602,
CS-0044565,
(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid,
rel-(1R,2R)-2-(2-(Trifluoromethyl)phenyl)cyclopropane-1-carboxylic acid,
157518-49-5,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.055464g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.18g/mol |
| Monoisotopic Mass | 230.055464g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number