| CAS Number | 1248184-67-9 |
| Catalog Number | AG01C5CV |
| Chemical Name | 2-{[4-fluoro-3-(trifluoromethyl)phenyl]amino}ethan-1-ol |
| IUPAC Name | 2-[4-fluoro-3-(trifluoromethyl)anilino]ethanol |
| InChI | InChI=1S/C9H9F4NO/c10-8-2-1-6(14-3-4-15)5-7(8)9(11,12)13/h1-2,5,14-15H,3-4H2 |
| InChI Key | QEPDFMREISJJPR-UHFFFAOYSA-N |
| MDL Number | MFCD14600394 |
| Molecular Formula | C9H9F4NO |
| Molecular Weight | 223.1675 |
| SMILES | OCCNC1=CC(C(F)(F)F)=C(F)C=C1 |
| Synonyms | 2-{[4-fluoro-3-(trifluoromethyl)phenyl]amino}ethan-1-ol,
1248184-67-9,
ZINC40712867,
AKOS010477115,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.171g/mol |
| Monoisotopic Mass | 223.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number