| CAS Number | 1019119-96-0 |
| Catalog Number | AG01C0KW |
| Chemical Name | 2-[3-(Trifluoromethyl)phenoxy]pyridine-3-carbonitrile |
| IUPAC Name | 2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile |
| InChI | InChI=1S/C13H7F3N2O/c14-13(15,16)10-4-1-5-11(7-10)19-12-9(8-17)3-2-6-18-12/h1-7H |
| InChI Key | OVXJOVLQFBGKNA-UHFFFAOYSA-N |
| MDL Number | MFCD12550587 |
| Molecular Formula | C13H7F3N2O |
| Molecular Weight | 264.2027 |
| SMILES | FC(C1=CC(OC2=C(C#N)C=CC=N2)=CC=C1)(F)F |
| Synonyms | 2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile,
1019119-96-0,
ZINC19841160,
AKOS000212012,
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| Complexity | 350 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.207g/mol |
| Monoisotopic Mass | 264.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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