| CAS Number | 1592348-11-2 |
| Catalog Number | AG01DVQ3 |
| Chemical Name | 6-bromo-8-chloro-1,2,3,4-tetrahydroisoquinoline |
| IUPAC Name | 6-bromo-8-chloro-1,2,3,4-tetrahydroisoquinoline |
| InChI | InChI=1S/C9H9BrClN/c10-7-3-6-1-2-12-5-8(6)9(11)4-7/h3-4,12H,1-2,5H2 |
| InChI Key | GCTFYECWFBVQJL-UHFFFAOYSA-N |
| MDL Number | MFCD31629314 |
| Molecular Formula | C9H9BrClN |
| Molecular Weight | 246.5315 |
| SMILES | BrC=1C=C2CCNCC2=C(C1)Cl |
| Synonyms | 6-bromo-8-chloro-1,2,3,4-tetrahydroisoquinoline,
1592348-11-2,
AKOS034131256,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.532g/mol |
| Monoisotopic Mass | 244.961g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number