| CAS Number | 57368-84-0 |
| Catalog Number | AG019PPD |
| Chemical Name | 2-Chloro-1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one |
| IUPAC Name | 2-chloro-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone |
| InChI | InChI=1S/C12H14ClNO2/c1-16-10-4-5-11-9(7-10)3-2-6-14(11)12(15)8-13/h4-5,7H,2-3,6,8H2,1H3 |
| InChI Key | XJPUWRWIBSSPSL-UHFFFAOYSA-N |
| MDL Number | MFCD09376367 |
| Molecular Formula | C12H14ClNO2 |
| Molecular Weight | 239.6981 |
| SMILES | O=C(N1CCCC2=C1C=CC(OC)=C2)CCl |
| Synonyms | 2-chloro-1-(6-methoxy-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one,
1-(chloroacetyl)-6-methoxy-1,2,3,4-tetrahydroquinoline,
57368-84-0,
AC1Q4EUV,
KB02,
CTK6H5010,
ZINC12505032,
AKOS000118097,
MCULE-6295233582,
NE38019,
EN300-24641,
Z235344231,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.699g/mol |
| Monoisotopic Mass | 239.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number