| CAS Number | 942938-30-9 |
| Catalog Number | AG018HC6(AGN-PC-0WO8T9) |
| Chemical Name | 6-(2,2-Difluoroethoxy)pyridine-3-carbonitrile |
| IUPAC Name | 6-(2,2-difluoroethoxy)pyridine-3-carbonitrile |
| InChI | InChI=1S/C8H6F2N2O/c9-7(10)5-13-8-2-1-6(3-11)4-12-8/h1-2,4,7H,5H2 |
| InChI Key | OZYSXUHCBUCOJY-UHFFFAOYSA-N |
| MDL Number | MFCD22628463 |
| Molecular Formula | C8H6F2N2O |
| Molecular Weight | 184.1428 |
| SMILES | FC(COC1=NC=C(C#N)C=C1)F |
| Synonyms | 6-(2,2-difluoroethoxy)pyridine-3-carbonitrile,
942938-30-9,
6-(2,2-Difluoro-ethoxy)-nicotinonitrile,
SCHEMBL2691841,
MFCD22628463,
ZINC84425414,
AKOS020850311,
MCULE-3130956624,
NE27177,
3-Pyridinecarbonitrile, 6-(2,2-difluoroethoxy)-,
F2147-2131,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number