| CAS Number | 1261863-34-6 |
| Catalog Number | AG00HJ6P(AGN-PC-0WR8N0) |
| Chemical Name | 3-(Hydroxymethyl)-4-(trifluoromethoxy)phenol |
| IUPAC Name | 3-(hydroxymethyl)-4-(trifluoromethoxy)phenol |
| InChI | InChI=1S/C8H7F3O3/c9-8(10,11)14-7-2-1-6(13)3-5(7)4-12/h1-3,12-13H,4H2 |
| InChI Key | FYZXKIJHQVUQNF-UHFFFAOYSA-N |
| MDL Number | MFCD18397490 |
| Molecular Formula | C8H7F3O3 |
| Molecular Weight | 208.1346 |
| SMILES | OCc1cc(O)ccc1OC(F)(F)F |
| Synonyms | 3-(HYDROXYMETHYL)-4-(TRIFLUOROMETHOXY)PHENOL,
1261863-34-6,
ZINC238724070,
|
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.136g/mol |
| Monoisotopic Mass | 208.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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