| CAS Number | 1153083-63-6 |
| Catalog Number | AG01AABF |
| Chemical Name | 4-chloro-6-(propan-2-yloxy)quinoline |
| IUPAC Name | 4-chloro-6-propan-2-yloxyquinoline |
| InChI | InChI=1S/C12H12ClNO/c1-8(2)15-9-3-4-12-10(7-9)11(13)5-6-14-12/h3-8H,1-2H3 |
| InChI Key | NZYSHMFIANGSCP-UHFFFAOYSA-N |
| MDL Number | MFCD12192774 |
| Molecular Formula | C12H12ClNO |
| Molecular Weight | 221.6828 |
| SMILES | CC(OC1=CC2=C(N=CC=C2Cl)C=C1)C |
| Synonyms | 4-chloro-6-(propan-2-yloxy)quinoline,
1153083-63-6,
ZINC35731107,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.684g/mol |
| Monoisotopic Mass | 221.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number