| CAS Number | 1261752-88-8 |
| Catalog Number | AG01DMMG |
| Chemical Name | 3-Methoxy-5-(trifluoromethoxy)phenol |
| IUPAC Name | 3-methoxy-5-(trifluoromethoxy)phenol |
| InChI | InChI=1S/C8H7F3O3/c1-13-6-2-5(12)3-7(4-6)14-8(9,10)11/h2-4,12H,1H3 |
| InChI Key | VRUDFUJUBOSJFC-UHFFFAOYSA-N |
| MDL Number | MFCD18397422 |
| Molecular Formula | C8H7F3O3 |
| Molecular Weight | 208.1346 |
| SMILES | COc1cc(cc(c1)O)OC(F)(F)F |
| Synonyms | 3-METHOXY-5-(TRIFLUOROMETHOXY)PHENOL,
1261752-88-8,
ZINC97758356,
3-Hydroxy-5-(trifluoromethoxy)anisole,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.136g/mol |
| Monoisotopic Mass | 208.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number