| CAS Number | 1214385-15-5 |
| Catalog Number | AG019TNZ |
| Chemical Name | 3-Methyl-2-(trifluoromethyl)benzoic acid |
| IUPAC Name | 3-methyl-2-(trifluoromethyl)benzoic acid |
| InChI | InChI=1S/C9H7F3O2/c1-5-3-2-4-6(8(13)14)7(5)9(10,11)12/h2-4H,1H3,(H,13,14) |
| InChI Key | RWQQQKKQKXBNGZ-UHFFFAOYSA-N |
| MDL Number | MFCD13185722 |
| Molecular Formula | C9H7F3O2 |
| Molecular Weight | 204.1459 |
| SMILES | CC1=C(C(=CC=C1)C(=O)O)C(F)(F)F |
| Synonyms | 3-methyl-2-(trifluoromethyl)benzoic acid,
1214385-15-5,
SCHEMBL5962049,
AKOS034099547,
FT-0703994,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.148g/mol |
| Monoisotopic Mass | 204.04g/mol |
| Rotatable Bond Count | 1 |
| 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