| CAS Number | 948291-65-4 |
| Catalog Number | AG006S0S(AGN-PC-01A9GP) |
| Chemical Name | 2,7-Dichloro-8-methylquinoline-3-carbonitrile |
| IUPAC Name | 2,7-dichloro-8-methylquinoline-3-carbonitrile |
| InChI | InChI=1S/C11H6Cl2N2/c1-6-9(12)3-2-7-4-8(5-14)11(13)15-10(6)7/h2-4H,1H3 |
| InChI Key | JTQXUNOKCQNFDL-UHFFFAOYSA-N |
| MDL Number | MFCD02093844 |
| Molecular Formula | C11H6Cl2N2 |
| Molecular Weight | 237.0847 |
| SMILES | N#Cc1cc2ccc(c(c2nc1Cl)C)Cl |
| Synonyms | 2,7-Dichloro-8-methylquinoline-3-carbonitrile,
948291-65-4,
CTK8E3577,
DTXSID70588941,
MFCD09787545,
ZINC11985231,
AKOS022199609,
AB51646,
OR307888,
DB-080070,
RT-006912,
FT-0742838,
T6808,
2,7-Dichloro-8-methylquinoline-3-carbonitrile, AldrichCPR,
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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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number