| CAS Number | 1508551-16-3 |
| Catalog Number | AG01AC1Y(AGN-PC-0WGFVL) |
| Chemical Name | 5-bromo-7-chloro-1,2,3,4-tetrahydroisoquinolin-1-one |
| IUPAC Name | 5-bromo-7-chloro-3,4-dihydro-2H-isoquinolin-1-one |
| InChI | InChI=1S/C9H7BrClNO/c10-8-4-5(11)3-7-6(8)1-2-12-9(7)13/h3-4H,1-2H2,(H,12,13) |
| InChI Key | YJTCNFMDEZKMSO-UHFFFAOYSA-N |
| MDL Number | MFCD24130030 |
| Molecular Formula | C9H7BrClNO |
| Molecular Weight | 260.5150 |
| SMILES | BrC1=C2CCNC(C2=CC(=C1)Cl)=O |
| Synonyms | 5-bromo-7-chloro-1,2,3,4-tetrahydroisoquinolin-1-one,
1508551-16-3,
AKOS020165163,
ZINC126782673,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.515g/mol |
| Monoisotopic Mass | 258.94g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number