| CAS Number | 1243373-31-0 |
| Catalog Number | AG01B1E2 |
| Chemical Name | 5-Hydroxy-2-(trifluoromethyl)benzoic acid |
| IUPAC Name | 5-hydroxy-2-(trifluoromethyl)benzoic acid |
| InChI | InChI=1S/C8H5F3O3/c9-8(10,11)6-2-1-4(12)3-5(6)7(13)14/h1-3,12H,(H,13,14) |
| InChI Key | QYGBIUJXLVIFCS-UHFFFAOYSA-N |
| MDL Number | MFCD16999943 |
| Molecular Formula | C8H5F3O3 |
| Molecular Weight | 206.1187 |
| SMILES | OC(C1=C(C(F)(F)F)C=CC(O)=C1)=O |
| Synonyms | 5-hydroxy-2-(trifluoromethyl)benzoic acid,
1243373-31-0,
ZINC89064082,
AKOS017548793,
NE25576,
Z2510258190,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.12g/mol |
| Monoisotopic Mass | 206.019g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number