| CAS Number | 50504-14-8 |
| Catalog Number | AG01AH5C(AGN-PC-0WO6L1) |
| Chemical Name | 2,6-Dichloroquinoline-4-carbonitrile |
| IUPAC Name | 2,6-dichloroquinoline-4-carbonitrile |
| InChI | InChI=1S/C10H4Cl2N2/c11-7-1-2-9-8(4-7)6(5-13)3-10(12)14-9/h1-4H |
| InChI Key | FARGULUBVYWUNI-UHFFFAOYSA-N |
| MDL Number | MFCD18483205 |
| Molecular Formula | C10H4Cl2N2 |
| Molecular Weight | 223.0582 |
| SMILES | N#CC1=CC(Cl)=NC2=CC=C(Cl)C=C12 |
| Synonyms | 2,6-dichloroquinoline-4-carbonitrile,
50504-14-8,
EN300-73748,
4-Quinolinecarbonitrile, 2,6-dichloro-,
ZINC62151958,
AKOS023370674,
FCH1325940,
NE46929,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.056g/mol |
| Monoisotopic Mass | 221.975g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number