| CAS Number | 2137831-45-7 |
| Catalog Number | AG01ELI4 |
| Chemical Name | 8-Bromo-6-Chloroisoquinoline |
| IUPAC Name | 8-bromo-6-chloroisoquinoline |
| InChI | InChI=1S/C9H5BrClN/c10-9-4-7(11)3-6-1-2-12-5-8(6)9/h1-5H |
| InChI Key | HXNYEHRNBILNAR-UHFFFAOYSA-N |
| MDL Number | MFCD31421622 |
| Molecular Formula | C9H5BrClN |
| Molecular Weight | 242.4997 |
| SMILES | ClC1=CC2=C(C=NC=C2)C(Br)=C1 |
| Synonyms | 8-bromo-6-chloroisoquinoline,
SCHEMBL19643461,
AKOS034076422,
2137831-45-7,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.929g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.5g/mol |
| Monoisotopic Mass | 240.929g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number