| CAS Number | 948291-61-0 |
| Catalog Number | AG0067QL(AGN-PC-0WQXH0) |
| Chemical Name | 2,6-Dichloroquinoline-3-carbonitrile |
| IUPAC Name | 2,6-dichloroquinoline-3-carbonitrile |
| InChI | InChI=1S/C10H4Cl2N2/c11-8-1-2-9-6(4-8)3-7(5-13)10(12)14-9/h1-4H |
| InChI Key | VITYMWFVJDUOBD-UHFFFAOYSA-N |
| MDL Number | MFCD09787669 |
| Molecular Formula | C10H4Cl2N2 |
| Molecular Weight | 223.0582 |
| SMILES | N#Cc1cc2cc(Cl)ccc2nc1Cl |
| Synonyms | 2,6-Dichloroquinoline-3-carbonitrile,
948291-61-0,
CTK8E3559,
DTXSID20588991,
MFCD09787669,
ZINC11985188,
AB51944,
FCH1327297,
OR307917,
RT-006883,
T6807,
2,6-Dichloroquinoline-3-carbonitrile, AldrichCPR,
|
| 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
| Symbol: |   |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H318
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P280-P301+P310-P305+P351+P338
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number