| CAS Number | 313655-35-5 |
| Catalog Number | AG019T1C(AGN-PC-03JG2L) |
| Chemical Name | 2-[2-(Trifluoromethyl)phenoxy]ethan-1-ol |
| IUPAC Name | 2-[2-(trifluoromethyl)phenoxy]ethanol |
| InChI | InChI=1S/C9H9F3O2/c10-9(11,12)7-3-1-2-4-8(7)14-6-5-13/h1-4,13H,5-6H2 |
| InChI Key | IDDALPBLIMDOHI-UHFFFAOYSA-N |
| MDL Number | MFCD12180315 |
| Molecular Formula | C9H9F3O2 |
| Molecular Weight | 206.1618 |
| SMILES | OCCOC1=C(C(F)(F)F)C=CC=C1 |
| Synonyms | 2-[2-(trifluoromethyl)phenoxy]ethan-1-ol,
313655-35-5,
2-(2-(trifluoromethyl)phenoxy)ethanol,
2-[2-(Trifluoromethyl)phenoxy]ethanol,
SCHEMBL2090880,
IDDALPBLIMDOHI-UHFFFAOYSA-N,
2-(2-Trifluoromethylphenoxy)ethanol,
ZINC35200209,
AKOS008110333,
MCULE-4084253651,
NE19444,
A1-05639,
|
| Complexity | 170 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.164g/mol |
| Monoisotopic Mass | 206.055g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number