| CAS Number | 1820716-76-4 |
| Catalog Number | AG00I11D |
| Chemical Name | 6,7-Dichloro-4,4-dimethyl-3,4-dihydroquinolin-2(1H)-one |
| IUPAC Name | 6,7-dichloro-4,4-dimethyl-1,3-dihydroquinolin-2-one |
| InChI | InChI=1S/C11H11Cl2NO/c1-11(2)5-10(15)14-9-4-8(13)7(12)3-6(9)11/h3-4H,5H2,1-2H3,(H,14,15) |
| InChI Key | ZEGURSOXWQTJEO-UHFFFAOYSA-N |
| MDL Number | MFCD28122702 |
| Molecular Formula | C11H11Cl2NO |
| Molecular Weight | 244.1171 |
| SMILES | O=C1Nc2cc(Cl)c(cc2C(C1)(C)C)Cl |
| Synonyms | 6,7-Dichloro-4,4-dimethyl-3,4-dihydroquinolin-2(1H)-one,
1820716-76-4,
ZINC216709202,
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| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.115g/mol |
| Monoisotopic Mass | 243.022g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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