| CAS Number | 1423028-75-4 |
| Catalog Number | AG018HC7(AGN-PC-0WOB2N) |
| Chemical Name | 2-(2,2-Difluoroethoxy)isonicotinonitrile |
| IUPAC Name | 2-(2,2-difluoroethoxy)pyridine-4-carbonitrile |
| InChI | InChI=1S/C8H6F2N2O/c9-7(10)5-13-8-3-6(4-11)1-2-12-8/h1-3,7H,5H2 |
| InChI Key | OQHZRPHVQQIVDZ-UHFFFAOYSA-N |
| MDL Number | MFCD22628442 |
| Molecular Formula | C8H6F2N2O |
| Molecular Weight | 184.1428 |
| SMILES | FC(COC1=NC=CC(C#N)=C1)F |
| Synonyms | 2-(2,2-difluoroethoxy)pyridine-4-carbonitrile,
1423028-75-4,
2-(2,2-difluoroethoxy)isonicotinonitrile,
ZINC84613376,
AKOS020850310,
MCULE-4887327442,
NE23406,
F2147-2132,
2-(2,2-Difluoro-ethoxy)-isonicotinonitrile,
|
| 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