| CAS Number | 1017049-01-2 |
| Catalog Number | AG019VDN(AGN-PC-0WCR1B) |
| Chemical Name | 4-chloro-6,8-dimethoxyquinoline-3-carbonitrile |
| IUPAC Name | 4-chloro-6,8-dimethoxyquinoline-3-carbonitrile |
| InChI | InChI=1S/C12H9ClN2O2/c1-16-8-3-9-11(13)7(5-14)6-15-12(9)10(4-8)17-2/h3-4,6H,1-2H3 |
| InChI Key | MAHAGCBLKSSMFB-UHFFFAOYSA-N |
| MDL Number | MFCD09937921 |
| Molecular Formula | C12H9ClN2O2 |
| Molecular Weight | 248.6651 |
| SMILES | COC1=CC2=C(N=CC(=C2Cl)C#N)C(OC)=C1 |
| Synonyms | 4-chloro-6,8-dimethoxyquinoline-3-carbonitrile,
1017049-01-2,
EN300-44965,
AC1Q4F07,
CTK6J9100,
ZINC19476708,
AKOS000179991,
MCULE-9669975310,
NE26123,
BC4158355,
J-000481,
Z1217910568,
|
| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.666g/mol |
| Monoisotopic Mass | 248.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number