| CAS Number | 4552-43-6 |
| Catalog Number | AG006ZIV(AGN-PC-0NI7N8) |
| Chemical Name | 4-Chloroquinoline-2-carbonitrile |
| IUPAC Name | 4-chloroquinoline-2-carbonitrile |
| InChI | InChI=1S/C10H5ClN2/c11-9-5-7(6-12)13-10-4-2-1-3-8(9)10/h1-5H |
| InChI Key | ZTVAHLPRNFKXBF-UHFFFAOYSA-N |
| MDL Number | MFCD08705675 |
| Molecular Formula | C10H5ClN2 |
| Molecular Weight | 188.6131 |
| SMILES | N#CC1=NC2=CC=CC=C2C(Cl)=C1 |
| Synonyms | 4-Chloroquinoline-2-carbonitrile,
4552-43-6,
4-CHLORO-2-CYANOQUINOLINE,
2-Quinolinecarbonitrile, 4-chloro-,
2-Cyano-4-chloroquinoline,
SCHEMBL17165889,
CTK4I8856,
DTXSID40482068,
2-Quinolinecarbonitrile,4-chloro-,
6273AB,
ZINC14982360,
AKOS006282362,
NE48938,
AJ-65644,
SC-19929,
DB-081640,
FT-0710234,
EN300-74962,
C10H5ClN2,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.614g/mol |
| Monoisotopic Mass | 188.014g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number