| CAS Number | 1803570-73-1 |
| Catalog Number | AG01BCTQ |
| Chemical Name | [2,6-Difluoro-4-(trifluoromethyl)phenyl]methanol |
| IUPAC Name | [2,6-difluoro-4-(trifluoromethyl)phenyl]methanol |
| InChI | InChI=1S/C8H5F5O/c9-6-1-4(8(11,12)13)2-7(10)5(6)3-14/h1-2,14H,3H2 |
| InChI Key | IWZJMMRHZHBIBS-UHFFFAOYSA-N |
| MDL Number | MFCD28012313 |
| Molecular Formula | C8H5F5O |
| Molecular Weight | 212.1167 |
| SMILES | OCC1=C(F)C=C(C(F)(F)F)C=C1F |
| Synonyms | 1803570-73-1,
[2,6-Difluoro-4-(trifluoromethyl)phenyl]methanol,
2,6-Difluoro-4-(trifluoromethyl)benzyl alcohol,
MFCD28012313,
ZINC96300574,
PS-11411,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.119g/mol |
| Monoisotopic Mass | 212.026g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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