| CAS Number | 261952-13-0 |
| Catalog Number | AG00C1RF(AGN-PC-0WAO9D) |
| Chemical Name | 2-Methyl-5-(trifluoromethyl)benzyl alcohol |
| IUPAC Name | [2-methyl-5-(trifluoromethyl)phenyl]methanol |
| InChI | InChI=1S/C9H9F3O/c1-6-2-3-8(9(10,11)12)4-7(6)5-13/h2-4,13H,5H2,1H3 |
| InChI Key | ZWDCFSFHZBKBMZ-UHFFFAOYSA-N |
| MDL Number | MFCD01631604 |
| Molecular Formula | C9H9F3O |
| Molecular Weight | 190.1624 |
| SMILES | CC1=C(CO)C=C(C(F)(F)F)C=C1 |
| Synonyms | 2-Methyl-5-(trifluoromethyl)benzyl alcohol,
261952-13-0,
[2-methyl-5-(trifluoromethyl)phenyl]methanol,
(2-Methyl-5-(trifluoromethyl)phenyl)methanol,
AC1MCQCH,
SCHEMBL15062087,
CTK8A2592,
JRD-0944,
ZINC2382311,
8698AD,
MFCD01631604,
SBB091078,
AKOS015956021,
PS-8379,
KS-00003R93,
RT-007913,
K-6805,
[2-methyl-5-(trifluoromethyl)phenyl]methan-1-ol,
C9H9F3O,
CID2775611,
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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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number