| CAS Number | 217806-37-6 |
| Catalog Number | AG019N66(AGN-PC-0WO1E0) |
| Chemical Name | 2-(2,2,2-Trifluoroethoxy)propanoic acid |
| IUPAC Name | 2-(2,2,2-trifluoroethoxy)propanoic acid |
| InChI | InChI=1S/C5H7F3O3/c1-3(4(9)10)11-2-5(6,7)8/h3H,2H2,1H3,(H,9,10) |
| InChI Key | WLVIHEZFLDLAON-UHFFFAOYSA-N |
| MDL Number | MFCD09945363 |
| Molecular Formula | C5H7F3O3 |
| Molecular Weight | 172.1025 |
| SMILES | CC(C(O)=O)OCC(F)(F)F |
| Synonyms | 2-(2,2,2-trifluoroethoxy)propanoic Acid,
217806-37-6,
AC1Q2C33,
SCHEMBL4638218,
CTK6A3468,
AKOS000190082,
AKOS016903909,
MCULE-9480105685,
NE36617,
EN300-39498,
2-(2,2,2-trifluoroethoxy)propanoic acid, AldrichCPR,
CID10511382,
|
| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.103g/mol |
| Monoisotopic Mass | 172.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number