| CAS Number | 1000783-73-2 |
| Catalog Number | AG01EQK0(AGN-PC-3H47AP) |
| Chemical Name | 1-(2,4-Dimethylphenyl)-2,2,2-trifluoroethan-1-ol |
| IUPAC Name | 1-(2,4-dimethylphenyl)-2,2,2-trifluoroethanol |
| InChI | InChI=1S/C10H11F3O/c1-6-3-4-8(7(2)5-6)9(14)10(11,12)13/h3-5,9,14H,1-2H3 |
| InChI Key | JRWQOLMAHKQNNF-UHFFFAOYSA-N |
| MDL Number | MFCD12787067 |
| Molecular Formula | C10H11F3O |
| Molecular Weight | 204.1889 |
| SMILES | OC(C(F)(F)F)C1=CC=C(C)C=C1C |
| Synonyms | 1000783-73-2,
1-(2,4-dimethylphenyl)-2,2,2-trifluoroethan-1-ol,
SCHEMBL19828711,
2,4-Dimethyl-a-(trifluoromethyl)benzenemethanol,
1-(2,4-dimethylphenyl)-2,2,2-trifluoroethanol,
Benzenemethanol, 2,4-dimethyl-a-(trifluoromethyl)-,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.192g/mol |
| Monoisotopic Mass | 204.076g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number