| CAS Number | 888739-68-2 |
| Catalog Number | AG00GUWT(AGN-PC-0WBSQ2) |
| Chemical Name | 2-Methyl-4-(trifluoromethyl)benzyl alcohol |
| IUPAC Name | [2-methyl-4-(trifluoromethyl)phenyl]methanol |
| InChI | InChI=1S/C9H9F3O/c1-6-4-8(9(10,11)12)3-2-7(6)5-13/h2-4,13H,5H2,1H3 |
| InChI Key | IBSJPFGWKAEPGE-UHFFFAOYSA-N |
| MDL Number | MFCD18399874 |
| Molecular Formula | C9H9F3O |
| Molecular Weight | 190.1624 |
| SMILES | CC1=C(C=CC(=C1)C(F)(F)F)CO |
| Synonyms | 888739-68-2,
2-METHYL-4-(TRIFLUOROMETHYL)BENZYL ALCOHOL,
[2-methyl-4-(trifluoromethyl)phenyl]methanol,
(2-Methyl-4-(trifluoromethyl)phenyl)methanol,
Benzenemethanol, 2-methyl-4-(trifluoromethyl)-,
SCHEMBL5112247,
DTXSID60717768,
IBSJPFGWKAEPGE-UHFFFAOYSA-N,
MFCD18399874,
ZINC66322940,
AKOS007930766,
C-2573,
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| 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 |
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Certificate of Analysis
Lot Number