| CAS Number | 1361712-31-3 |
| Catalog Number | AG019ETE(AGN-PC-0WG48C) |
| Chemical Name | 2-(6-(2,4-Dichlorophenyl)pyridin-2-yl)acetonitrile |
| IUPAC Name | 2-[6-(2,4-dichlorophenyl)pyridin-2-yl]acetonitrile |
| InChI | InChI=1S/C13H8Cl2N2/c14-9-4-5-11(12(15)8-9)13-3-1-2-10(17-13)6-7-16/h1-5,8H,6H2 |
| InChI Key | MVKMYJXZUSXZRC-UHFFFAOYSA-N |
| MDL Number | MFCD25447109 |
| Molecular Formula | C13H8Cl2N2 |
| Molecular Weight | 263.1220 |
| SMILES | N#CCc1cccc(n1)c1ccc(cc1Cl)Cl |
| Synonyms | 1361712-31-3,
2-(6-(2,4-Dichlorophenyl)pyridin-2-yl)acetonitrile,
2-[6-(2,4-dichlorophenyl)pyridin-2-yl]acetonitrile,
MFCD25447109,
AKOS027255995,
ZINC306145214,
TZ000784,
CS-0036897,
6-(2,4-Dichlorophenyl)pyridine-2-acetonitrile,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.121g/mol |
| Monoisotopic Mass | 262.006g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number