| CAS Number | 1373920-82-1 |
| Catalog Number | AG009IMJ(AGN-PC-0WAOXJ) |
| Chemical Name | 4-Fluoro-3-methyl-5-(trifluoromethyl)phenylacetic acid |
| IUPAC Name | 2-[4-fluoro-3-methyl-5-(trifluoromethyl)phenyl]acetic acid |
| InChI | InChI=1S/C10H8F4O2/c1-5-2-6(4-8(15)16)3-7(9(5)11)10(12,13)14/h2-3H,4H2,1H3,(H,15,16) |
| InChI Key | OEPYHPGEWLYDHQ-UHFFFAOYSA-N |
| MDL Number | MFCD22201074 |
| Molecular Formula | C10H8F4O2 |
| Molecular Weight | 236.1629 |
| SMILES | CC1=C(F)C(=CC(CC(O)=O)=C1)C(F)(F)F |
| Synonyms | 1373920-82-1,
4-Fluoro-3-methyl-5-(trifluoromethyl)phenylacetic acid,
MFCD22201074,
2-(4-Fluoro-3-methyl-5-(trifluoromethyl)phenyl)acetic acid,
ZINC91252093,
PC302414,
PS-11203,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.166g/mol |
| Monoisotopic Mass | 236.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number