| CAS Number | 851341-50-9 |
| Catalog Number | AG01BJ7Q(AGN-PC-0NI0BC) |
| Chemical Name | 2-Hydroxy-6-(trifluoromethoxy)benzoic acid |
| IUPAC Name | 2-hydroxy-6-(trifluoromethoxy)benzoic acid |
| InChI | InChI=1S/C8H5F3O4/c9-8(10,11)15-5-3-1-2-4(12)6(5)7(13)14/h1-3,12H,(H,13,14) |
| InChI Key | MGLCPEBCRLSTTL-UHFFFAOYSA-N |
| MDL Number | MFCD18397460 |
| Molecular Formula | C8H5F3O4 |
| Molecular Weight | 222.1181 |
| SMILES | OC(C1=C(OC(F)(F)F)C=CC=C1O)=O |
| Synonyms | 2-hydroxy-6-(trifluoromethoxy)benzoic acid,
851341-50-9,
WT488,
ZINC96171648,
AKOS024263340,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.119g/mol |
| Monoisotopic Mass | 222.014g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number