| CAS Number | 2137673-43-7 |
| Catalog Number | AG01EINT |
| Chemical Name | 5,7-Dibromoisoquinoline |
| IUPAC Name | 5,7-dibromoisoquinoline |
| InChI | InChI=1S/C9H5Br2N/c10-7-3-6-5-12-2-1-8(6)9(11)4-7/h1-5H |
| InChI Key | KCKOBTYLMIJXHR-UHFFFAOYSA-N |
| MDL Number | MFCD31457100 |
| Molecular Formula | C9H5Br2N |
| Molecular Weight | 286.9507 |
| SMILES | BrC1=C2C=CN=CC2=CC(=C1)Br |
| Synonyms | 5,7-dibromoisoquinoline,
AKOS034086518,
2137673-43-7,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.877g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.954g/mol |
| Monoisotopic Mass | 284.879g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number