| CAS Number | 90097-51-1 |
| Catalog Number | AG01AH7L(AGN-PC-00M59O) |
| Chemical Name | 3-(Chloromethyl)-1,2-dihydroquinolin-2-one |
| IUPAC Name | 3-(chloromethyl)-1H-quinolin-2-one |
| InChI | InChI=1S/C10H8ClNO/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13/h1-5H,6H2,(H,12,13) |
| InChI Key | KLQZGMXIVAVSIE-UHFFFAOYSA-N |
| MDL Number | MFCD09882385 |
| Molecular Formula | C10H8ClNO |
| Molecular Weight | 193.6296 |
| SMILES | ClCC1C(=O)NC2=C(C=CC=C2)C=1 |
| Synonyms | 3-(chloromethyl)-1,2-dihydroquinolin-2-one,
90097-51-1,
3-chloromethylcarbostyril,
SCHEMBL9293635,
KLQZGMXIVAVSIE-UHFFFAOYSA-N,
ZINC11568612,
AKOS006283528,
NE24151,
2(1H)-Quinolinone, 3-(chloromethyl)-,
EN300-73928,
2(1H)-Quinolinone,3-(chloromethyl)-,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.63g/mol |
| Monoisotopic Mass | 193.029g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number