| CAS Number | 1824263-95-7 |
| Catalog Number | AG019EQP(AGN-PC-0WG48B) |
| Chemical Name | 2-(6-(3-Chlorophenyl)pyridin-2-yl)acetonitrile |
| IUPAC Name | 2-[6-(3-chlorophenyl)pyridin-2-yl]acetonitrile |
| InChI | InChI=1S/C13H9ClN2/c14-11-4-1-3-10(9-11)13-6-2-5-12(16-13)7-8-15/h1-6,9H,7H2 |
| InChI Key | VIVHMVLZYFFVSM-UHFFFAOYSA-N |
| MDL Number | MFCD20038551 |
| Molecular Formula | C13H9ClN2 |
| Molecular Weight | 228.6770 |
| SMILES | N#CCc1cccc(n1)c1cccc(c1)Cl |
| Synonyms | 2-(6-(3-Chlorophenyl)pyridin-2-yl)acetonitrile,
1824263-95-7,
2-[6-(3-chlorophenyl)pyridin-2-yl]acetonitrile,
MFCD20038551,
ZINC259303140,
TZ000782,
CS-0037052,
|
| Complexity | 270 |
| 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 |
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Certificate of Analysis
Lot Number