| CAS Number | 129140-97-2 |
| Catalog Number | AG019YUK |
| Chemical Name | 2-[3-(Trifluoromethyl)phenyl]butanoic acid |
| IUPAC Name | 2-[3-(trifluoromethyl)phenyl]butanoic acid |
| InChI | InChI=1S/C11H11F3O2/c1-2-9(10(15)16)7-4-3-5-8(6-7)11(12,13)14/h3-6,9H,2H2,1H3,(H,15,16) |
| InChI Key | MVESVVUZSZNCSI-UHFFFAOYSA-N |
| MDL Number | MFCD16316297 |
| Molecular Formula | C11H11F3O2 |
| Molecular Weight | 232.1990 |
| SMILES | O=C(C(CC)C1=CC=CC(C(F)(F)F)=C1)O |
| Synonyms | 2-[3-(trifluoromethyl)phenyl]butanoic acid,
129140-97-2,
SCHEMBL3674481,
AKOS011879833,
MCULE-9518398832,
NE30959,
Z1367006544,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.202g/mol |
| Monoisotopic Mass | 232.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number