| CAS Number | 109769-57-5 |
| Catalog Number | AG01B1HU(AGN-PC-0OZU6P) |
| Chemical Name | 2,2-dimethyl-1-(4-(trifluoromethyl)phenyl)propan-1-ol |
| IUPAC Name | 2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol |
| InChI | InChI=1S/C12H15F3O/c1-11(2,3)10(16)8-4-6-9(7-5-8)12(13,14)15/h4-7,10,16H,1-3H3 |
| InChI Key | CEARQOWSYUBEOP-UHFFFAOYSA-N |
| MDL Number | MFCD16316341 |
| Molecular Formula | C12H15F3O |
| Molecular Weight | 232.2421 |
| SMILES | c1c(ccc(c1)C(C(C)(C)C)O)C(F)(F)F |
| Synonyms | 2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol,
109769-57-5,
SCHEMBL18358442,
AKOS012086058,
NE56932,
1-[4-(Trifluoromethyl)phenyl]-2,2-dimethyl-1-propanol,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.246g/mol |
| Monoisotopic Mass | 232.107g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
Lot Number