| CAS Number | 195622-41-4 |
| Catalog Number | AG00AMPG(AGN-PC-0CLUUS) |
| Chemical Name | 2-Methyl-5-(trifluoromethoxy)benzoic acid |
| IUPAC Name | 2-methyl-5-(trifluoromethoxy)benzoic acid |
| InChI | InChI=1S/C9H7F3O3/c1-5-2-3-6(15-9(10,11)12)4-7(5)8(13)14/h2-4H,1H3,(H,13,14) |
| InChI Key | IBHIJPBIQCIAES-UHFFFAOYSA-N |
| MDL Number | MFCD18399742 |
| Molecular Formula | C9H7F3O3 |
| Molecular Weight | 220.1453 |
| SMILES | Cc1ccc(cc1C(=O)O)OC(F)(F)F |
| Synonyms | 2-Methyl-5-(trifluoromethoxy)benzoic acid,
195622-41-4,
MFCD18399742,
SCHEMBL2326026,
IBHIJPBIQCIAES-UHFFFAOYSA-N,
ZX-AP010408,
ZINC91252059,
FCH1724921,
PC32734,
PS-11268,
Benzoic acid, 2-methyl-5-(trifluoromethoxy)-,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.147g/mol |
| Monoisotopic Mass | 220.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number