| CAS Number | 1936091-91-6 |
| Catalog Number | AG01AM5G |
| Chemical Name | 8-bromo-7-methylisoquinoline |
| IUPAC Name | 8-bromo-7-methylisoquinoline |
| InChI | InChI=1S/C10H8BrN/c1-7-2-3-8-4-5-12-6-9(8)10(7)11/h2-6H,1H3 |
| InChI Key | YSPYFTJORZWNFD-UHFFFAOYSA-N |
| MDL Number | MFCD30303229 |
| Molecular Formula | C10H8BrN |
| Molecular Weight | 222.0812 |
| SMILES | CC1=C(Br)C2=C(C=CN=C2)C=C1 |
| Synonyms | 8-Bromo-7-methylisoquinoline,
1936091-91-6,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.085g/mol |
| Monoisotopic Mass | 220.984g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number