| CAS Number | 948290-59-3 |
| Catalog Number | AG005V27(AGN-PC-01A9JO) |
| Chemical Name | 2-Chloro-3-chloromethyl-5,7-dimethylquinoline |
| IUPAC Name | 2-chloro-3-(chloromethyl)-5,7-dimethylquinoline |
| InChI | InChI=1S/C12H11Cl2N/c1-7-3-8(2)10-5-9(6-13)12(14)15-11(10)4-7/h3-5H,6H2,1-2H3 |
| InChI Key | MUOUPNFBZGRTAD-UHFFFAOYSA-N |
| MDL Number | MFCD09787651 |
| Molecular Formula | C12H11Cl2N |
| Molecular Weight | 240.1284 |
| SMILES | ClCc1cc2c(C)cc(cc2nc1Cl)C |
| Synonyms | 2-Chloro-3-chloromethyl-5,7-dimethylquinoline,
948290-59-3,
2-chloro-3-(chloromethyl)-5,7-dimethylquinoline,
CTK8E3886,
DTXSID80588972,
MFCD09787651,
ZINC11985075,
AKOS012534661,
AB51903,
AB0107856,
RT-007573,
T6793,
2-Chloro-3-chloromethyl-5,7-dimethylquinoline, AldrichCPR,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.127g/mol |
| Monoisotopic Mass | 239.027g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
Lot Number