| CAS Number | 1198103-42-2 |
| Catalog Number | AG000PP7(AGN-PC-0WCRWY) |
| Chemical Name | 6-(difluoroMethoxy)nicotinonitrile |
| IUPAC Name | 6-(difluoromethoxy)pyridine-3-carbonitrile |
| InChI | InChI=1S/C7H4F2N2O/c8-7(9)12-6-2-1-5(3-10)4-11-6/h1-2,4,7H |
| InChI Key | RASGKOKUJVRDAN-UHFFFAOYSA-N |
| MDL Number | MFCD14698409 |
| Molecular Formula | C7H4F2N2O |
| Molecular Weight | 170.1163 |
| SMILES | C1=CC(=NC=C1C#N)OC(F)F |
| Synonyms | 6-(difluoromethoxy)nicotinonitrile,
1198103-42-2,
6-Difluoromethoxy-nicotinonitrile,
SCHEMBL4321088,
DTXSID70673301,
ZINC47203197,
AKOS016845318,
FCH1138939,
RL00771,
6-(difluoromethoxy)pyridine-3-carbonitrile,
AJ-110727,
AX8253533,
3-Pyridinecarbonitrile, 6-(difluoromethoxy)-,
J-518062,
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| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.119g/mol |
| Monoisotopic Mass | 170.029g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number