| CAS Number | 1261611-31-7 |
| Catalog Number | AG01B6LS |
| Chemical Name | 3-(hydroxymethyl)-5-(trifluoromethyl)phenol |
| IUPAC Name | 3-(hydroxymethyl)-5-(trifluoromethyl)phenol |
| InChI | InChI=1S/C8H7F3O2/c9-8(10,11)6-1-5(4-12)2-7(13)3-6/h1-3,12-13H,4H2 |
| InChI Key | AAJMJSWOTMKIDJ-UHFFFAOYSA-N |
| MDL Number | MFCD11857806 |
| Molecular Formula | C8H7F3O2 |
| Molecular Weight | 192.1352 |
| SMILES | OCc1cc(O)cc(c1)C(F)(F)F |
| Synonyms | 3-(hydroxymethyl)-5-(trifluoromethyl)phenol,
1261611-31-7,
AKOS033948819,
ZINC238723900,
3-Hydroxy-5-(trifluoromethyl)benzyl alcohol,
Z2583036198,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.137g/mol |
| Monoisotopic Mass | 192.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number