| CAS Number | 1323955-61-8 |
| Catalog Number | AG009IMX(AGN-PC-0WAOTH) |
| Chemical Name | 2-Fluoro-5-methyl-4-(trifluoromethyl)benzoic acid |
| IUPAC Name | 2-fluoro-5-methyl-4-(trifluoromethyl)benzoic acid |
| InChI | InChI=1S/C9H6F4O2/c1-4-2-5(8(14)15)7(10)3-6(4)9(11,12)13/h2-3H,1H3,(H,14,15) |
| InChI Key | FRUQXARTJIZTHE-UHFFFAOYSA-N |
| MDL Number | MFCD19687178 |
| Molecular Formula | C9H6F4O2 |
| Molecular Weight | 222.1364 |
| SMILES | CC1=CC(C(O)=O)=C(F)C=C1C(F)(F)F |
| Synonyms | 2-fluoro-5-methyl-4-(trifluoromethyl)benzoic acid,
1323955-61-8,
MFCD19687178,
ZINC91252097,
AKOS015957201,
PC302921,
PS-11298,
2-Fluoro-5-Methyl-4-(trifluoroMethyl)benzoic acid, 97%,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.139g/mol |
| Monoisotopic Mass | 222.03g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number