| CAS Number | 1250050-25-9 |
| Catalog Number | AG01AIND(AGN-PC-0WOQC8) |
| Chemical Name | 2-Chloro-2-(2,4-difluorophenyl)acetonitrile |
| IUPAC Name | 2-chloro-2-(2,4-difluorophenyl)acetonitrile |
| InChI | InChI=1S/C8H4ClF2N/c9-7(4-12)6-2-1-5(10)3-8(6)11/h1-3,7H |
| InChI Key | WJVFUIFMIMGJHH-UHFFFAOYSA-N |
| MDL Number | MFCD16146975 |
| Molecular Formula | C8H4ClF2N |
| Molecular Weight | 187.5739 |
| SMILES | FC1=CC(F)=C(C(C#N)Cl)C=C1 |
| Synonyms | 2-chloro-2-(2,4-difluorophenyl)acetonitrile,
1250050-25-9,
chloro(2,4-difluorophenyl)acetonitrile,
MFCD16146975,
AKOS011224900,
NE35855,
BS-12249,
EN300-78439,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.574g/mol |
| Monoisotopic Mass | 187g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number