| CAS Number | 2138041-91-3 |
| Catalog Number | AG01EJI3 |
| Chemical Name | 1-(3,5-dichlorophenyl)-2-(4-fluorophenyl)ethan-1-amine hydrochloride |
| IUPAC Name | 1-(3,5-dichlorophenyl)-2-(4-fluorophenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C14H12Cl2FN.ClH/c15-11-6-10(7-12(16)8-11)14(18)5-9-1-3-13(17)4-2-9;/h1-4,6-8,14H,5,18H2;1H |
| InChI Key | JZFIYWRSZRXSCW-UHFFFAOYSA-N |
| MDL Number | MFCD31559096 |
| Molecular Formula | C14H13Cl3FN |
| Molecular Weight | 320.6171 |
| SMILES | Cl.NC(C1=CC(Cl)=CC(Cl)=C1)CC1=CC=C(F)C=C1 |
| Synonyms | 1-(3,5-dichlorophenyl)-2-(4-fluorophenyl)ethan-1-amine hydrochloride,
2138041-91-3,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.613g/mol |
| Monoisotopic Mass | 319.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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