| CAS Number | 33357-66-3 |
| Catalog Number | AG01A39T |
| Chemical Name | 2-methyl-1-(3-(trifluoromethyl)phenyl)propan-1-ol |
| IUPAC Name | 2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol |
| InChI | InChI=1S/C11H13F3O/c1-7(2)10(15)8-4-3-5-9(6-8)11(12,13)14/h3-7,10,15H,1-2H3 |
| InChI Key | DWZJLAYIRRQRKP-UHFFFAOYSA-N |
| MDL Number | MFCD12153486 |
| Molecular Formula | C11H13F3O |
| Molecular Weight | 218.2155 |
| SMILES | C(C(C)C)(O)c1cc(C(F)(F)F)ccc1 |
| Synonyms | 2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol,
33357-66-3,
2-Methyl-1-[3-(trifluoromethyl)phenyl]propanol,
AKOS010015381,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.219g/mol |
| Monoisotopic Mass | 218.092g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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