| CAS Number | 957205-74-2 |
| Catalog Number | AG00IJEN |
| Chemical Name | (3-Methyl-4-(trifluoromethyl)phenyl)methanol |
| IUPAC Name | [3-methyl-4-(trifluoromethyl)phenyl]methanol |
| InChI | InChI=1S/C9H9F3O/c1-6-4-7(5-13)2-3-8(6)9(10,11)12/h2-4,13H,5H2,1H3 |
| InChI Key | NVDZWCVNILWFBJ-UHFFFAOYSA-N |
| MDL Number | MFCD18399877 |
| Molecular Formula | C9H9F3O |
| Molecular Weight | 190.1624 |
| SMILES | OCc1ccc(c(c1)C)C(F)(F)F |
| Synonyms | 957205-74-2,
(3-Methyl-4-(trifluoromethyl)phenyl)methanol,
SCHEMBL3901935,
NVDZWCVNILWFBJ-UHFFFAOYSA-N,
ZINC165105308,
(3-Methyl-4-trifluoromethylphenyl)methanol,
3-Methyl-4-(trifluoromethyl)benzyl alcohol,
Benzenemethanol, 3-methyl-4-(trifluoromethyl)-,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.165g/mol |
| Monoisotopic Mass | 190.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number