| CAS Number | 159383-57-0 |
| Catalog Number | AG001QNB(AGN-PC-00FYPV) |
| Chemical Name | 2-Chloro-3-(3-chloropropyl)-6-methoxyquinoline |
| IUPAC Name | 2-chloro-3-(3-chloropropyl)-6-methoxyquinoline |
| InChI | InChI=1S/C13H13Cl2NO/c1-17-11-4-5-12-10(8-11)7-9(3-2-6-14)13(15)16-12/h4-5,7-8H,2-3,6H2,1H3 |
| InChI Key | YTYKURZXNARJCD-UHFFFAOYSA-N |
| MDL Number | MFCD09787635 |
| Molecular Formula | C13H13Cl2NO |
| Molecular Weight | 270.1544 |
| SMILES | COc1cc2cc(CCCCl)c(nc2cc1)Cl |
| Synonyms | 2-Chloro-3-(3-chloropropyl)-6-methoxyquinoline,
159383-57-0,
CTK8E3865,
DTXSID30472418,
MFCD09787635,
ZINC32099350,
AKOS027384850,
AB51857,
OR307900,
RT-007559,
T6409,
Quinoline, 2-chloro-3-(3-chloropropyl)-6-methoxy-,
CID11777891,
2-chloro-3-(3-chloropropyl)-6-methoxy-quinoline,
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| 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