| CAS Number | 948294-49-3 |
| Catalog Number | AG0067J5(AGN-PC-01A9IX) |
| Chemical Name | 2-Chloro-3-(2-chloroethyl)-6-ethoxyquinoline |
| IUPAC Name | 2-chloro-3-(2-chloroethyl)-6-ethoxyquinoline |
| InChI | InChI=1S/C13H13Cl2NO/c1-2-17-11-3-4-12-10(8-11)7-9(5-6-14)13(15)16-12/h3-4,7-8H,2,5-6H2,1H3 |
| InChI Key | OKXXKGSLVAINIT-UHFFFAOYSA-N |
| MDL Number | MFCD09787619 |
| Molecular Formula | C13H13Cl2NO |
| Molecular Weight | 270.1544 |
| SMILES | ClCCc1cc2cc(OCC)ccc2nc1Cl |
| Synonyms | 2-Chloro-3-(2-chloroethyl)-6-ethoxyquinoline,
948294-49-3,
CTK8E3850,
DTXSID10588945,
MFCD09787619,
ZINC11985646,
AB51819,
OR307895,
DB-080108,
RT-007543,
FT-0740276,
T6832,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.153g/mol |
| Monoisotopic Mass | 269.037g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number