| CAS Number | 1283108-77-9 |
| Catalog Number | AG01APNF(AGN-PC-0WCO2Y) |
| Chemical Name | 3-acetyl-6-chloro-4-(4-chlorophenyl)-1,2-dihydroquinolin-2-one |
| IUPAC Name | 3-acetyl-6-chloro-4-(4-chlorophenyl)-1H-quinolin-2-one |
| InChI | InChI=1S/C17H11Cl2NO2/c1-9(21)15-16(10-2-4-11(18)5-3-10)13-8-12(19)6-7-14(13)20-17(15)22/h2-8H,1H3,(H,20,22) |
| InChI Key | KHOMBBJCLYEZQF-UHFFFAOYSA-N |
| MDL Number | MFCD21091972 |
| Molecular Formula | C17H11Cl2NO2 |
| Molecular Weight | 332.1807 |
| SMILES | CC(C1C(=O)NC2=C(C=C(C=C2)Cl)C=1C1=CC=C(Cl)C=C1)=O |
| Synonyms | 3-acetyl-6-chloro-4-(4-chlorophenyl)quinolin-2(1H)-one,
1283108-77-9,
3-acetyl-6-chloro-4-(4-chlorophenyl)-1H-quinolin-2-one,
ZINC61957971,
AKOS015958156,
MCULE-7804474362,
L-4416,
F2147-0907,
3-acetyl-6-chloro-4-(4-chlorophenyl)-1,2-dihydroquinolin-2-one,
|
| Complexity | 509 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 331.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 332.18g/mol |
| Monoisotopic Mass | 331.017g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number