| CAS Number | 886362-03-4 |
| Catalog Number | AG00IR9D(AGN-PC-0WAX5K) |
| Chemical Name | 2-Chloro-4-(p-tolyl)nicotinonitrile |
| IUPAC Name | 2-chloro-4-(4-methylphenyl)pyridine-3-carbonitrile |
| InChI | InChI=1S/C13H9ClN2/c1-9-2-4-10(5-3-9)11-6-7-16-13(14)12(11)8-15/h2-7H,1H3 |
| InChI Key | DTCCOIWAFVWTHT-UHFFFAOYSA-N |
| MDL Number | MFCD08056677 |
| Molecular Formula | C13H9ClN2 |
| Molecular Weight | 228.677 |
| SMILES | ClC1(=NC=CC(=C1C#N)C2(=CC=C(C)C=C2)) |
| Synonyms | 2-chloro-4-(4-methylphenyl)nicotinonitrile,
886362-03-4,
2-chloro-4-(4-methylphenyl)pyridine-3-carbonitrile,
2-Chloro-4-(p-tolyl)nicotinonitrile,
SCHEMBL16936423,
CTK7C6498,
SBB097357,
ZINC12336400,
AKOS005071265,
2-chloro-3-cyano-4-(p-tolyl)pyridine,
KS-0000212B,
DB-098622,
TR-063998,
8Z-0836,
chloromethylphenylnicotinonitrile,
RP13174,
AJ-60844,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.045426g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.67g/mol |
| Monoisotopic Mass | 228.045426g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number