| CAS Number | 930570-37-9 |
| Catalog Number | AG00IHGP |
| Chemical Name | 4-Chloro-2-propyl-6-quinolinecarbonitrile |
| IUPAC Name | 4-chloro-2-propylquinoline-6-carbonitrile |
| InChI | InChI=1S/C13H11ClN2/c1-2-3-10-7-12(14)11-6-9(8-15)4-5-13(11)16-10/h4-7H,2-3H2,1H3 |
| InChI Key | JGKHGULLFTVYKX-UHFFFAOYSA-N |
| MDL Number | MFCD09260432 |
| Molecular Formula | C13H11ClN2 |
| Molecular Weight | 230.6928 |
| SMILES | CCCc1cc(Cl)c2c(n1)ccc(c2)C#N |
| Synonyms | 4-Chloro-2-propyl-6-quinolinecarbonitrile,
930570-37-9,
4-CHLORO-2-PROPYLQUINOLINE-6-CARBONITRILE,
DTXSID70588921,
MFCD09260432,
ZINC32099252,
AB49954,
OR307871,
T6773,
4-Chloro-2-propyl-6-quinolinecarbonitrile, AldrichCPR,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.695g/mol |
| Monoisotopic Mass | 230.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number