| CAS Number | 851341-57-6 |
| Catalog Number | AG00IDJY(AGN-PC-0OJO32) |
| Chemical Name | 5-Hydroxy-2-(trifluoromethoxy)benzoic acid |
| IUPAC Name | 5-hydroxy-2-(trifluoromethoxy)benzoic acid |
| InChI | InChI=1S/C8H5F3O4/c9-8(10,11)15-6-2-1-4(12)3-5(6)7(13)14/h1-3,12H,(H,13,14) |
| InChI Key | VMWFNEUPJINUMV-UHFFFAOYSA-N |
| MDL Number | MFCD18397465 |
| Molecular Formula | C8H5F3O4 |
| Molecular Weight | 222.1181 |
| SMILES | Oc1ccc(c(c1)C(=O)O)OC(F)(F)F |
| Synonyms | 5-hydroxy-2-(trifluoromethoxy)benzoic acid,
851341-57-6,
ZINC96171644,
AKOS024263331,
Benzoic acid, 5-hydroxy-2-(trifluoromethoxy)-,
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| 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 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number