| CAS Number | 936497-96-0 |
| Catalog Number | AG01BEFY |
| Chemical Name | 4-Chloro-6-isopropylquinoline-3-carbonitrile |
| IUPAC Name | 4-chloro-6-propan-2-ylquinoline-3-carbonitrile |
| InChI | InChI=1S/C13H11ClN2/c1-8(2)9-3-4-12-11(5-9)13(14)10(6-15)7-16-12/h3-5,7-8H,1-2H3 |
| InChI Key | LQJYCFMDNCQQLL-UHFFFAOYSA-N |
| MDL Number | MFCD09261372 |
| Molecular Formula | C13H11ClN2 |
| Molecular Weight | 230.6928 |
| SMILES | CC(C1=CC2=C(N=CC(=C2Cl)C#N)C=C1)C |
| Synonyms | 936497-96-0,
4-CHLORO-6-ISOPROPYL-QUINOLINE-3-CARBONITRILE,
4-chloro-6-(propan-2-yl)quinoline-3-carbonitrile,
4-Chloro-6-isopropylquinoline-3-carbonitrile,
MFCD09261372,
ZINC16697602,
AKOS000202606,
NE46680,
AS-37334,
BC4158350,
EN300-181770,
|
| Complexity | 294 |
| 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 | 1 |
| 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