| CAS Number | 1184643-06-8 |
| Catalog Number | AG01A1Y7 |
| Chemical Name | 6-(2-chlorophenoxy)-2,3-dimethyl-1,4-dihydroquinolin-4-one |
| IUPAC Name | 6-(2-chlorophenoxy)-2,3-dimethyl-1H-quinolin-4-one |
| InChI | InChI=1S/C17H14ClNO2/c1-10-11(2)19-15-8-7-12(9-13(15)17(10)20)21-16-6-4-3-5-14(16)18/h3-9H,1-2H3,(H,19,20) |
| InChI Key | KONMQGLHIQAIBE-UHFFFAOYSA-N |
| MDL Number | MFCD22565983 |
| Molecular Formula | C17H14ClNO2 |
| Molecular Weight | 299.7516 |
| SMILES | CC1=C(C)C(=O)C2=C(C=CC(=C2)OC2=C(Cl)C=CC=C2)N1 |
| Synonyms | 6-(2-chlorophenoxy)-2,3-dimethyl-1,4-dihydroquinolin-4-one,
1184643-06-8,
ZINC37947541,
AKOS010223139,
NE56530,
Z1953497152,
|
| Complexity | 448 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.754g/mol |
| Monoisotopic Mass | 299.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
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Certificate of Analysis
Lot Number