| CAS Number | 179632-68-9 |
| Catalog Number | AG019ZKC |
| Chemical Name | 4-(1,1,1-Trifluoro-2-hydroxypropan-2-yl)phenol |
| IUPAC Name | 4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol |
| InChI | InChI=1S/C9H9F3O2/c1-8(14,9(10,11)12)6-2-4-7(13)5-3-6/h2-5,13-14H,1H3 |
| InChI Key | WNKAWMMGLNHYRT-UHFFFAOYSA-N |
| MDL Number | MFCD16068012 |
| Molecular Formula | C9H9F3O2 |
| Molecular Weight | 206.1618 |
| SMILES | FC(C(C)(O)C1=CC=C(C=C1)O)(F)F |
| Synonyms | 4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol,
179632-68-9,
SCHEMBL8482502,
WNKAWMMGLNHYRT-UHFFFAOYSA-N,
AKOS010909624,
MCULE-8367766990,
NE45954,
4-(2-hydroxy-1,1,1-trifluoro-2-propyl)phenol,
alpha-(Trifluoromethyl)-alpha-methyl-4-hydroxybenzenemethanol,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.164g/mol |
| Monoisotopic Mass | 206.055g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number