| CAS Number | 23168-76-5 |
| Catalog Number | AG019EMT(AGN-PC-0WG48A) |
| Chemical Name | 2-(6-(4-Chlorophenyl)pyridin-2-yl)acetonitrile |
| IUPAC Name | 2-[6-(4-chlorophenyl)pyridin-2-yl]acetonitrile |
| InChI | InChI=1S/C13H9ClN2/c14-11-6-4-10(5-7-11)13-3-1-2-12(16-13)8-9-15/h1-7H,8H2 |
| InChI Key | FFEUXMNEDHKIQU-UHFFFAOYSA-N |
| MDL Number | MFCD20038568 |
| Molecular Formula | C13H9ClN2 |
| Molecular Weight | 228.6770 |
| SMILES | N#CCc1cccc(n1)c1ccc(cc1)Cl |
| Synonyms | 2-(6-(4-Chlorophenyl)pyridin-2-yl)acetonitrile,
23168-76-5,
2-[6-(4-chlorophenyl)pyridin-2-yl]acetonitrile,
SCHEMBL17873448,
MFCD20038568,
ZINC259097714,
TZ000783,
CS-0037053,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.679g/mol |
| Monoisotopic Mass | 228.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number