| CAS Number | 1417567-87-3 |
| Catalog Number | AG01BE5K(AGN-PC-0WCBC0) |
| Chemical Name | [3,5-difluoro-4-(trifluoromethyl)phenyl]methanol |
| IUPAC Name | [3,5-difluoro-4-(trifluoromethyl)phenyl]methanol |
| InChI | InChI=1S/C8H5F5O/c9-5-1-4(3-14)2-6(10)7(5)8(11,12)13/h1-2,14H,3H2 |
| InChI Key | VRTWXMZDVDWKQB-UHFFFAOYSA-N |
| MDL Number | MFCD22566367 |
| Molecular Formula | C8H5F5O |
| Molecular Weight | 212.1167 |
| SMILES | OCC1=CC(F)=C(C(F)(F)F)C(F)=C1 |
| Synonyms | [3,5-difluoro-4-(trifluoromethyl)phenyl]methanol,
1417567-87-3,
SCHEMBL17284128,
ZINC95704717,
AKOS030232353,
NE60437,
|
| 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
Lot Number