| CAS Number | 886508-01-6 |
| Catalog Number | AG01DH4M(AGN-PC-05WLPV) |
| Chemical Name | 2-(3-(trifluoromethyl)phenyl)pyridin-3-amine |
| IUPAC Name | 2-[3-(trifluoromethyl)phenyl]pyridin-3-amine |
| InChI | InChI=1S/C12H9F3N2/c13-12(14,15)9-4-1-3-8(7-9)11-10(16)5-2-6-17-11/h1-7H,16H2 |
| InChI Key | APZLBJXYVOYROB-UHFFFAOYSA-N |
| MDL Number | MFCD06740307 |
| Molecular Formula | C12H9F3N2 |
| Molecular Weight | 238.2085 |
| SMILES | FC(C1=CC=CC(=C1)C1C(=CC=CN=1)N)(F)F |
| Synonyms | 886508-01-6,
2-(3-(Trifluoromethyl)phenyl)pyridin-3-amine,
2-[3-(trifluoromethyl)phenyl]pyridin-3-amine,
2-(3-Trifluoromethyl-phenyl)-pyridin-3-ylamine,
CTK7D9789,
ZINC4244125,
AKOS017560726,
CS-0060397,
2-(3-trifluoromethylphenyl)pyridin-3-ylamine,
3-Amino-2-(3-(trifluoromethyl)phenyl)pyridine,
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| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.213g/mol |
| Monoisotopic Mass | 238.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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