| CAS Number | 221692-28-0 |
| Catalog Number | AG00VSN2(AGN-PC-0WBKE5) |
| Chemical Name | 6-(2-Chloroacetyl)-1-methyl-1,2,3,4-tetrahydroquinolin-2-one |
| IUPAC Name | 6-(2-chloroacetyl)-1-methyl-3,4-dihydroquinolin-2-one |
| InChI | InChI=1S/C12H12ClNO2/c1-14-10-4-2-9(11(15)7-13)6-8(10)3-5-12(14)16/h2,4,6H,3,5,7H2,1H3 |
| InChI Key | MQDJHRBDWKGNMX-UHFFFAOYSA-N |
| MDL Number | MFCD10006141 |
| Molecular Formula | C12H12ClNO2 |
| Molecular Weight | 237.6822 |
| SMILES | CN1C2=C(C=C(C(CCl)=O)C=C2)CCC1=O |
| Synonyms | 6-(2-chloroacetyl)-1-methyl-1,2,3,4-tetrahydroquinolin-2-one,
221692-28-0,
SCHEMBL8524330,
ZINC11730019,
AKOS012397884,
MCULE-9299299191,
NE43461,
Z2491497303,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.683g/mol |
| Monoisotopic Mass | 237.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number