| CAS Number | 1547706-80-8 |
| Catalog Number | AG01B86F |
| Chemical Name | 5-(2,2-difluoroethoxy)pyridine-2-carbonitrile |
| IUPAC Name | 5-(2,2-difluoroethoxy)pyridine-2-carbonitrile |
| InChI | InChI=1S/C8H6F2N2O/c9-8(10)5-13-7-2-1-6(3-11)12-4-7/h1-2,4,8H,5H2 |
| InChI Key | YGAOMIAKEGDNGE-UHFFFAOYSA-N |
| MDL Number | MFCD24280874 |
| Molecular Formula | C8H6F2N2O |
| Molecular Weight | 184.1428 |
| SMILES | FC(COC1=CN=C(C#N)C=C1)F |
| Synonyms | 5-(2,2-difluoroethoxy)pyridine-2-carbonitrile,
1547706-80-8,
AKOS020987659,
ZINC130629966,
Z1983079705,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.146g/mol |
| Monoisotopic Mass | 184.045g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number