| CAS Number | 878465-62-4 |
| Catalog Number | AG019PBE |
| Chemical Name | 4-(2-Chloropropanoyl)-3,4-dihydroquinoxalin-2(1h)-one |
| IUPAC Name | 4-(2-chloropropanoyl)-1,3-dihydroquinoxalin-2-one |
| InChI | InChI=1S/C11H11ClN2O2/c1-7(12)11(16)14-6-10(15)13-8-4-2-3-5-9(8)14/h2-5,7H,6H2,1H3,(H,13,15) |
| InChI Key | WAXPDZKONOCMDU-UHFFFAOYSA-N |
| MDL Number | MFCD08245260 |
| Molecular Formula | C11H11ClN2O2 |
| Molecular Weight | 238.6702 |
| SMILES | CC(C(N1C2=C(C=CC=C2)NC(=O)C1)=O)Cl |
| Synonyms | 4-(2-chloropropanoyl)-1,2,3,4-tetrahydroquinoxalin-2-one,
878465-62-4,
4-(2-chloropropanoyl)-3,4-dihydroquinoxalin-2(1H)-one,
AC1Q2ATM,
CTK7H6207,
AKOS009075987,
MCULE-6711132173,
NE25378,
UPCMLD0ENAT5544120:001,
EN300-23091,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.671g/mol |
| Monoisotopic Mass | 238.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number