| CAS Number | 367-69-1 |
| Catalog Number | AG00CW95(AGN-PC-0RCPIM) |
| Chemical Name | 1-[4-Fluoro-3-(trifluoromethyl)phenyl]ethan-1-ol |
| IUPAC Name | 1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol |
| InChI | InChI=1S/C9H8F4O/c1-5(14)6-2-3-8(10)7(4-6)9(11,12)13/h2-5,14H,1H3 |
| InChI Key | VVMUNUHSORCOAL-UHFFFAOYSA-N |
| MDL Number | MFCD06797339 |
| Molecular Formula | C9H8F4O |
| Molecular Weight | 208.1528 |
| SMILES | CC(C1=CC(C(F)(F)F)=C(F)C=C1)O |
| Synonyms | 1-[4-Fluoro-3-(trifluoromethyl)phenyl]ethan-1-ol,
367-69-1,
SCHEMBL3309320,
CTK4H7122,
DTXSID40641017,
AKOS016015672,
NE19722,
1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol,
Benzenemethanol,4-fluoro-a-methyl-3-(trifluoromethyl)-,
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| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.156g/mol |
| Monoisotopic Mass | 208.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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