| CAS Number | 106877-38-7 |
| Catalog Number | AG019DCB(AGN-PC-0NL6F1) |
| Chemical Name | 5-Methyl-2-(trifluoromethyl)phenol |
| IUPAC Name | 5-methyl-2-(trifluoromethyl)phenol |
| InChI | InChI=1S/C8H7F3O/c1-5-2-3-6(7(12)4-5)8(9,10)11/h2-4,12H,1H3 |
| InChI Key | JSWFHRPIEPGOOV-UHFFFAOYSA-N |
| MDL Number | MFCD16997507 |
| Molecular Formula | C8H7F3O |
| Molecular Weight | 176.1358 |
| SMILES | CC1=CC(O)=C(C(F)(F)F)C=C1 |
| Synonyms | 5-METHYL-2-(TRIFLUOROMETHYL)PHENOL,
106877-38-7,
SCHEMBL10661885,
ZINC34768513,
AKOS016015628,
MB23404,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.138g/mol |
| Monoisotopic Mass | 176.045g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number