| CAS Number | 948290-90-2 |
| Catalog Number | AG0067QS(AGN-PC-0WQXHD) |
| Chemical Name | 2-Chloro-3-chloromethyl-6-ethoxyquinoline |
| IUPAC Name | 2-chloro-3-(chloromethyl)-6-ethoxyquinoline |
| InChI | InChI=1S/C12H11Cl2NO/c1-2-16-10-3-4-11-8(6-10)5-9(7-13)12(14)15-11/h3-6H,2,7H2,1H3 |
| InChI Key | JTGFBNJZNGEGIV-UHFFFAOYSA-N |
| MDL Number | MFCD09787657 |
| Molecular Formula | C12H11Cl2NO |
| Molecular Weight | 256.1278 |
| SMILES | CCOc1ccc2c(c1)cc(c(n2)Cl)CCl |
| Synonyms | 2-Chloro-3-chloromethyl-6-ethoxyquinoline,
948290-90-2,
CTK8E3890,
PKCBB_01152,
DTXSID40588978,
MFCD09787657,
ZINC11985102,
AKOS012534565,
AB51918,
OR307907,
RT-007577,
2-chloro-3-(chloromethyl)-6-ethoxyquinoline,
T6796,
2-Chloro-3-chloromethyl-6-ethoxyquinoline, AldrichCPR,
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| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.126g/mol |
| Monoisotopic Mass | 255.022g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 22.1A^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