| CAS Number | 206201-65-2 |
| Catalog Number | AG01B5D3(AGN-PC-080TXU) |
| Chemical Name | 6-(difluoromethyl)pyridine-3-carbonitrile |
| IUPAC Name | 6-(difluoromethyl)pyridine-3-carbonitrile |
| InChI | InChI=1S/C7H4F2N2/c8-7(9)6-2-1-5(3-10)4-11-6/h1-2,4,7H |
| InChI Key | ZHDDGXQEIHENTC-UHFFFAOYSA-N |
| MDL Number | MFCD17170006 |
| Molecular Formula | C7H4F2N2 |
| Molecular Weight | 154.1169 |
| SMILES | N#CC1=CC=C(C(F)F)N=C1 |
| Synonyms | 206201-65-2,
6-(Difluoromethyl)nicotinonitrile,
6-(difluoromethyl)pyridine-3-carbonitrile,
SCHEMBL8575277,
5-Cyano-2-(difluoromethyl)pyridine,
ZINC66327861,
AKOS015891928,
3-Pyridinecarbonitrile, 6-(difluoromethyl)-,
I02-2197,
Z2515207584,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.12g/mol |
| Monoisotopic Mass | 154.034g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number