| CAS Number | 1496138-86-3 |
| Catalog Number | AG01EJKV |
| Chemical Name | (3-chlorophenyl)[2-(trifluoromethoxy)phenyl]methanamine |
| IUPAC Name | (3-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine |
| InChI | InChI=1S/C14H11ClF3NO/c15-10-5-3-4-9(8-10)13(19)11-6-1-2-7-12(11)20-14(16,17)18/h1-8,13H,19H2 |
| InChI Key | YJUUHOAXSDEJQA-UHFFFAOYSA-N |
| MDL Number | MFCD31667456 |
| Molecular Formula | C14H11ClF3NO |
| Molecular Weight | 301.6914 |
| SMILES | NC(C1=C(OC(F)(F)F)C=CC=C1)C1=CC(Cl)=CC=C1 |
| Synonyms | AKOS012084627,
(3-chlorophenyl)[2-(trifluoromethoxy)phenyl]methanamine,
1496138-86-3,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.693g/mol |
| Monoisotopic Mass | 301.048g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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