| CAS Number | 948291-60-9 |
| Catalog Number | AG005V1X(AGN-PC-01A9GL) |
| Chemical Name | 2,6-Dichloro-8-methylquinoline-3-carbonitrile |
| IUPAC Name | 2,6-dichloro-8-methylquinoline-3-carbonitrile |
| InChI | InChI=1S/C11H6Cl2N2/c1-6-2-9(12)4-7-3-8(5-14)11(13)15-10(6)7/h2-4H,1H3 |
| InChI Key | PACCOJOKRQWVLY-UHFFFAOYSA-N |
| MDL Number | MFCD09787542 |
| Molecular Formula | C11H6Cl2N2 |
| Molecular Weight | 237.0847 |
| SMILES | N#Cc1cc2cc(Cl)cc(c2nc1Cl)C |
| Synonyms | 2,6-Dichloro-8-methylquinoline-3-carbonitrile,
948291-60-9,
CTK8E3556,
DTXSID40588938,
MFCD09787542,
ZINC11985223,
AB51634,
OR307885,
DB-080069,
RT-006878,
FT-0760023,
T6806,
2,6-Dichloro-8-methylquinoline-3-carbonitrile, AldrichCPR,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.083g/mol |
| Monoisotopic Mass | 235.991g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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