| CAS Number | 124004-74-6 |
| Catalog Number | AG000LEU(AGN-PC-0WCY9V) |
| Chemical Name | 2,2,2-TRIFLUORO-1-(2-FLUOROPHENYL)ETHANOL |
| IUPAC Name | 2,2,2-trifluoro-1-(2-fluorophenyl)ethanol |
| InChI | InChI=1S/C8H6F4O/c9-6-4-2-1-3-5(6)7(13)8(10,11)12/h1-4,7,13H |
| InChI Key | PTVUXYXOBKWMNP-UHFFFAOYSA-N |
| MDL Number | MFCD16067929 |
| Molecular Formula | C8H6F4O |
| Molecular Weight | 194.1263 |
| SMILES | FC1=CC=CC=C1C(O)C(F)(F)F |
| Synonyms | 2,2,2-TRIFLUORO-1-(2-FLUOROPHENYL)ETHANOL,
124004-74-6,
2,2,2-Trifluoro-1-(2-fluoro-phenyl)-ethanol,
2,2,2-Trifluoro-1-(2-fluorophenyl)ethan-1-ol,
SCHEMBL14322064,
DTXSID20631335,
MFCD16067929,
AKOS010909789,
AS-41518,
AB0079964,
X-1915,
Benzenemethanol, 2-fluoro-alpha-(trifluoromethyl)-,
Benzenemethanol, 2-fluoro-a-(trifluoromethyl)-,
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| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.129g/mol |
| Monoisotopic Mass | 194.035g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number