| CAS Number | 1250113-83-7 |
| Catalog Number | AG01A1LL |
| Chemical Name | 1-(2,4,6-trifluorophenyl)ethan-1-ol |
| IUPAC Name | 1-(2,4,6-trifluorophenyl)ethanol |
| InChI | InChI=1S/C8H7F3O/c1-4(12)8-6(10)2-5(9)3-7(8)11/h2-4,12H,1H3 |
| InChI Key | DMGIAUMXLVQIHA-UHFFFAOYSA-N |
| MDL Number | MFCD12787167 |
| Molecular Formula | C8H7F3O |
| Molecular Weight | 176.1358 |
| SMILES | c1c(cc(c(c1F)C(C)O)F)F |
| Synonyms | 1-(2,4,6-trifluorophenyl)ethan-1-ol,
1250113-83-7,
1-(2,4,6-trifluorophenyl)ethanol,
SCHEMBL1994643,
AKOS010322382,
NE47833,
AK00898597,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.138g/mol |
| Monoisotopic Mass | 176.045g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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