| CAS Number | 1016867-23-4 |
| Catalog Number | AG019NIH(AGN-PC-0WNNR7) |
| Chemical Name | 4,8-Dichloroquinoline-3-carbonitrile |
| IUPAC Name | 4,8-dichloroquinoline-3-carbonitrile |
| InChI | InChI=1S/C10H4Cl2N2/c11-8-3-1-2-7-9(12)6(4-13)5-14-10(7)8/h1-3,5H |
| InChI Key | IZGNHLBOERHWBQ-UHFFFAOYSA-N |
| MDL Number | MFCD09949635 |
| Molecular Formula | C10H4Cl2N2 |
| Molecular Weight | 223.0582 |
| SMILES | ClC1=C2C(C(=C(C=N2)C#N)Cl)=CC=C1 |
| Synonyms | 4,8-dichloroquinoline-3-carbonitrile,
1016867-23-4,
EN300-40512,
AC1Q3HY7,
CTK7C9072,
ZINC19517592,
AKOS000197968,
BBV-087676,
FCH5613731,
MCULE-8316722302,
AB01003218-01,
Z425387848,
|
| 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 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number