| CAS Number | 1096815-82-5 |
| Catalog Number | AG01EJSX |
| Chemical Name | 2-(2,4-difluorophenyl)propanenitrile |
| IUPAC Name | 2-(2,4-difluorophenyl)propanenitrile |
| InChI | InChI=1S/C9H7F2N/c1-6(5-12)8-3-2-7(10)4-9(8)11/h2-4,6H,1H3 |
| InChI Key | LWOGMPFRXKTFFN-UHFFFAOYSA-N |
| MDL Number | MFCD11036492 |
| Molecular Formula | C9H7F2N |
| Molecular Weight | 167.1554 |
| SMILES | CC(C1=C(F)C=C(F)C=C1)C#N |
| Synonyms | 2-(2,4-difluorophenyl)propanenitrile,
1096815-82-5,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.159g/mol |
| Monoisotopic Mass | 167.055g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number