| CAS Number | 1820739-98-7 |
| Catalog Number | AG01BCID |
| Chemical Name | 3-[(oxetan-3-yl)methyl]-4-(trifluoromethyl)aniline |
| IUPAC Name | 3-(oxetan-3-ylmethyl)-4-(trifluoromethyl)aniline |
| InChI | InChI=1S/C11H12F3NO/c12-11(13,14)10-2-1-9(15)4-8(10)3-7-5-16-6-7/h1-2,4,7H,3,5-6,15H2 |
| InChI Key | YRLNIKIBRFUFGR-UHFFFAOYSA-N |
| MDL Number | MFCD29033808 |
| Molecular Formula | C11H12F3NO |
| Molecular Weight | 231.2143 |
| SMILES | NC1=CC(CC2COC2)=C(C(F)(F)F)C=C1 |
| Synonyms | 3-(oxetan-3-ylmethyl)-4-(trifluoromethyl)aniline,
1820739-98-7,
ZINC238857294,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.218g/mol |
| Monoisotopic Mass | 231.087g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number