| CAS Number | 1251084-39-5 |
| Catalog Number | AG01F2NE(AGN-PC-3H48NC) |
| Chemical Name | 2,2,2-Trifluoro-1-(4-fluoro-3-methylphenyl)ethanol |
| IUPAC Name | 2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethanol |
| InChI | InChI=1S/C9H8F4O/c1-5-4-6(2-3-7(5)10)8(14)9(11,12)13/h2-4,8,14H,1H3 |
| InChI Key | FLOXSHGFDIXSRP-UHFFFAOYSA-N |
| MDL Number | MFCD16686198 |
| Molecular Formula | C9H8F4O |
| Molecular Weight | 208.1528 |
| SMILES | C(C1C=CC(F)=C(C)C=1)(O)C(F)(F)F |
| Synonyms | 1251084-39-5,
2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethanol,
SCHEMBL13345093,
AKOS011400538,
4-Fluoro-3-methyl-a-(trifluoromethyl)benzenemethanol,
2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethan-1-ol,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.156g/mol |
| Monoisotopic Mass | 208.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number