| CAS Number | 220675-92-3 |
| Catalog Number | AG01EUJQ(AGN-PC-3H47KD) |
| Chemical Name | 1-(3,4-dimethylphenyl)-2,2,2-trifluoroethan-1-ol |
| IUPAC Name | 1-(3,4-dimethylphenyl)-2,2,2-trifluoroethanol |
| InChI | InChI=1S/C10H11F3O/c1-6-3-4-8(5-7(6)2)9(14)10(11,12)13/h3-5,9,14H,1-2H3 |
| InChI Key | DDTZKGMNCORHBB-UHFFFAOYSA-N |
| MDL Number | MFCD12786621 |
| Molecular Formula | C10H11F3O |
| Molecular Weight | 204.1889 |
| SMILES | CC1=C(C)C=C(C(C(F)(F)F)O)C=C1 |
| Synonyms | 220675-92-3,
1-(3,4-Dimethylphenyl)-2,2,2-trifluoroethan-1-ol,
3,4-Dimethyl-a-(trifluoromethyl)benzenemethanol,
1-(3,4-dimethylphenyl)-2,2,2-trifluoroethanol,
Benzenemethanol, 3,4-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 |
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Certificate of Analysis
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