| CAS Number | 49781-49-9 |
| Catalog Number | AG00DCEX(AGN-PC-0WBS3G) |
| Chemical Name | 2,2-Difluoropropanenitrile |
| IUPAC Name | 2,2-difluoropropanenitrile |
| InChI | InChI=1S/C3H3F2N/c1-3(4,5)2-6/h1H3 |
| InChI Key | RYWQXEUNSACTBO-UHFFFAOYSA-N |
| MDL Number | MFCD07780127 |
| Molecular Formula | C3H3F2N |
| Molecular Weight | 91.0594 |
| SMILES | CC(F)(F)C#N |
| Synonyms | 2,2-difluoropropanenitrile,
49781-49-9,
2,2-DIFLUOROPROPIONITRILE,
2,2-Dilfuoropropionitrile,
CTK4J1679,
DTXSID30617524,
BBL104079,
STL557894,
ZINC43465347,
AKOS005259444,
|
| Complexity | 88.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 91.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 91.061g/mol |
| Monoisotopic Mass | 91.023g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number