| CAS Number | 81577-10-8 |
| Catalog Number | AG00ID71(AGN-PC-0WRA60) |
| Chemical Name | 1-(3-Fluorophenyl)-2,2,2-trifluoroethanol |
| IUPAC Name | 2,2,2-trifluoro-1-(3-fluorophenyl)ethanol |
| InChI | InChI=1S/C8H6F4O/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4,7,13H |
| InChI Key | VFXAHGNGZGBILK-UHFFFAOYSA-N |
| MDL Number | MFCD16067876 |
| Molecular Formula | C8H6F4O |
| Molecular Weight | 194.1263 |
| SMILES | FC1=CC(C(O)C(F)(F)F)=CC=C1 |
| Synonyms | 81577-10-8,
2,2,2-TRIFLUORO-1-(3-FLUOROPHENYL)ETHANOL,
1-(3-Fluorophenyl)-2,2,2-trifluoroethanol,
2,2,2-Trifluoro-1-(3-fluorophenyl)ethan-1-ol,
1-fluoro-3-(2,2,2-trifluoro-1-hydroxyethyl)benzene,
SCHEMBL2420728,
DTXSID80631336,
VFXAHGNGZGBILK-UHFFFAOYSA-N,
MFCD16067876,
AKOS010909501,
AS-41521,
Benzenemethanol, 3-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