| CAS Number | 1273815-40-9 |
| Catalog Number | AG01EJHB |
| Chemical Name | phenyl[2-(trifluoromethoxy)phenyl]methanamine |
| IUPAC Name | phenyl-[2-(trifluoromethoxy)phenyl]methanamine |
| InChI | InChI=1S/C14H12F3NO/c15-14(16,17)19-12-9-5-4-8-11(12)13(18)10-6-2-1-3-7-10/h1-9,13H,18H2 |
| InChI Key | JPQLKGFRFAHSKP-UHFFFAOYSA-N |
| MDL Number | MFCD17390179 |
| Molecular Formula | C14H12F3NO |
| Molecular Weight | 267.2464 |
| SMILES | NC(C1=C(OC(F)(F)F)C=CC=C1)C1=CC=CC=C1 |
| Synonyms | AKOS006128128,
phenyl[2-(trifluoromethoxy)phenyl]methanamine,
1273815-40-9,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.251g/mol |
| Monoisotopic Mass | 267.087g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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