| CAS Number | 261952-15-2 |
| Catalog Number | AG002S75(AGN-PC-0WAO9E) |
| Chemical Name | 4-METHYL-3-(TRIFLUOROMETHYL)BENZYL ALCOHOL |
| IUPAC Name | [4-methyl-3-(trifluoromethyl)phenyl]methanol |
| InChI | InChI=1S/C9H9F3O/c1-6-2-3-7(5-13)4-8(6)9(10,11)12/h2-4,13H,5H2,1H3 |
| InChI Key | IUUCVMGJQLDSFO-UHFFFAOYSA-N |
| MDL Number | MFCD01631607 |
| Molecular Formula | C9H9F3O |
| Molecular Weight | 190.1624 |
| SMILES | CC1=C(C=C(C=C1)CO)C(F)(F)F |
| Synonyms | 4-Methyl-3-(trifluoromethyl)benzyl alcohol,
261952-15-2,
[4-methyl-3-(trifluoromethyl)phenyl]methanol,
(4-Methyl-3-(trifluoromethyl)phenyl)methanol,
AC1MCQCL,
SCHEMBL16953204,
CTK8A2777,
JRD-0947,
ZINC2382315,
MFCD01631607,
SBB091081,
AKOS015956023,
PS-8378,
KS-00003R92,
Benzenemethanol, 4-methyl-3-(trifluoromethyl)-,
[4-methyl-3-(trifluoromethyl)phenyl]methan-1-ol,
4-methyl-3-(trifluoromethyl)benzyl alcohol, AldrichCPR,
CID2775615,
|
| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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