| CAS Number | 1432677-88-7 |
| Catalog Number | AG01A4B0 |
| Chemical Name | 2-(3-fluorophenoxy)-1-[3-(trifluoromethyl)phenyl]ethan-1-amine hydrochloride |
| IUPAC Name | 2-(3-fluorophenoxy)-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride |
| InChI | InChI=1S/C15H13F4NO.ClH/c16-12-5-2-6-13(8-12)21-9-14(20)10-3-1-4-11(7-10)15(17,18)19;/h1-8,14H,9,20H2;1H |
| InChI Key | CGQCHRRLNYOBRQ-UHFFFAOYSA-N |
| MDL Number | MFCD23701826 |
| Molecular Formula | C15H14ClF4NO |
| Molecular Weight | 335.7244 |
| SMILES | Cl.NC(C1=CC(C(F)(F)F)=CC=C1)COC1=CC(F)=CC=C1 |
| Synonyms | 1-{2-amino-2-[3-(trifluoromethyl)phenyl]ethoxy}-3-fluorobenzene hydrochloride,
1432677-88-7,
NE28993,
1-[1-amino-2-(3-fluorophenoxy)ethyl]-3-(trifluoromethyl)benzene hydrochloride,
2-(3-fluorophenoxy)-1-[3-(trifluoromethyl)phenyl]ethan-1-amine hydrochloride,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 335.727g/mol |
| Monoisotopic Mass | 335.07g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number