| CAS Number | 2059954-32-2 |
| Catalog Number | AG01C0E4 |
| Chemical Name | 7-(4-Chlorobutoxy)-1-(4-chlorobutyl)-1,2-dihydroquinolin-2-one |
| IUPAC Name | 7-(4-chlorobutoxy)-1-(4-chlorobutyl)quinolin-2-one |
| InChI | InChI=1S/C17H21Cl2NO2/c18-9-1-3-11-20-16-13-15(22-12-4-2-10-19)7-5-14(16)6-8-17(20)21/h5-8,13H,1-4,9-12H2 |
| InChI Key | KKBIONMUIMPJFQ-UHFFFAOYSA-N |
| MDL Number | MFCD30497960 |
| Molecular Formula | C17H21Cl2NO2 |
| Molecular Weight | 342.2601 |
| SMILES | ClCCCCOC1=CC=C2C=CC(N(C2=C1)CCCCCl)=O |
| Synonyms | 7-(4-chlorobutoxy)-1-(4-chlorobutyl)-1,2-dihydroquinolin-2-one,
2059954-32-2,
ZINC536952149,
|
| Complexity | 376 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 341.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 342.26g/mol |
| Monoisotopic Mass | 341.095g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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