| CAS Number | 1594451-49-6 |
| Catalog Number | AG01BJ4F |
| Chemical Name | 6-chloro-3-methyl-1,2-dihydroisoquinolin-1-one |
| IUPAC Name | 6-chloro-3-methyl-2H-isoquinolin-1-one |
| InChI | InChI=1S/C10H8ClNO/c1-6-4-7-5-8(11)2-3-9(7)10(13)12-6/h2-5H,1H3,(H,12,13) |
| InChI Key | OXPZPHUCENEDBV-UHFFFAOYSA-N |
| MDL Number | MFCD30751809 |
| Molecular Formula | C10H8ClNO |
| Molecular Weight | 193.6296 |
| SMILES | O=C1NC(C)=CC2=C1C=CC(Cl)=C2 |
| Synonyms | 6-chloro-3-methyl-1,2-dihydroisoquinolin-1-one,
1594451-49-6,
AKOS024068398,
|
| Complexity | 262 |
| 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 | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number