| CAS Number | 119411-77-7 |
| Catalog Number | AG01A9SL(AGN-PC-0PD9KJ) |
| Chemical Name | 2-[2-(Trifluoromethyl)phenoxy]propanoic acid |
| IUPAC Name | 2-[2-(trifluoromethyl)phenoxy]propanoic acid |
| InChI | InChI=1S/C10H9F3O3/c1-6(9(14)15)16-8-5-3-2-4-7(8)10(11,12)13/h2-6H,1H3,(H,14,15) |
| InChI Key | YIZVVMCXQYBBIE-UHFFFAOYSA-N |
| MDL Number | MFCD09042655 |
| Molecular Formula | C10H9F3O3 |
| Molecular Weight | 234.1719 |
| SMILES | CC(C(O)=O)OC1=C(C(F)(F)F)C=CC=C1 |
| Synonyms | 2-[2-(trifluoromethyl)phenoxy]propanoic acid,
119411-77-7,
SCHEMBL9780575,
CTK7I5150,
AKOS000126696,
AKOS016901091,
MCULE-2922103848,
NE20763,
EN300-66021,
Z1178484501,
AC1Q2BYH,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.050379g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.17g/mol |
| Monoisotopic Mass | 234.050379g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number