| CAS Number | 948291-30-3 |
| Catalog Number | AG0067QP(AGN-PC-0WQXGY) |
| Chemical Name | 2,5-Dichloro-8-methylquinoline-3-carbonitrile |
| IUPAC Name | 2,5-dichloro-8-methylquinoline-3-carbonitrile |
| InChI | InChI=1S/C11H6Cl2N2/c1-6-2-3-9(12)8-4-7(5-14)11(13)15-10(6)8/h2-4H,1H3 |
| InChI Key | PMBFJSVYRZPMFI-UHFFFAOYSA-N |
| MDL Number | MFCD09787536 |
| Molecular Formula | C11H6Cl2N2 |
| Molecular Weight | 237.0847 |
| SMILES | N#Cc1cc2c(Cl)ccc(c2nc1Cl)C |
| Synonyms | 2,5-Dichloro-8-methylquinoline-3-carbonitrile,
948291-30-3,
CTK8E3531,
DTXSID00588934,
MFCD09787536,
ZINC11985236,
AKOS022199610,
AB51622,
OR307880,
RT-006836,
T6801,
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| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.083g/mol |
| Monoisotopic Mass | 235.991g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
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