| CAS Number | 261945-01-1 |
| Catalog Number | AG01FHFA(AGN-PC-0WOMP0) |
| Chemical Name | 2,4-Difluoro-5-(trifluoromethyl)benzoic acid |
| IUPAC Name | 2,4-difluoro-5-(trifluoromethyl)benzoic acid |
| InChI | InChI=1S/C8H3F5O2/c9-5-2-6(10)4(8(11,12)13)1-3(5)7(14)15/h1-2H,(H,14,15) |
| InChI Key | SQWIBAQCNRNRKF-UHFFFAOYSA-N |
| MDL Number | MFCD01631617 |
| Molecular Formula | C8H3F5O2 |
| Molecular Weight | 226.1002 |
| SMILES | OC(=O)c1cc(c(cc1F)F)C(F)(F)F |
| Synonyms | 2,4-Difluoro-5-(trifluoromethyl)benzoic acid,
261945-01-1,
ZINC2382330,
MFCD01631617,
PC500226,
PS-11288,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.102g/mol |
| Monoisotopic Mass | 226.005g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number