| CAS Number | 1416713-03-5 |
| Catalog Number | AG01BJ78 |
| Chemical Name | 8-Bromo-3-methylisoquinoline |
| IUPAC Name | 8-bromo-3-methylisoquinoline |
| InChI | InChI=1S/C10H8BrN/c1-7-5-8-3-2-4-10(11)9(8)6-12-7/h2-6H,1H3 |
| InChI Key | CPSOASVAUHHEBI-UHFFFAOYSA-N |
| MDL Number | MFCD22689719 |
| Molecular Formula | C10H8BrN |
| Molecular Weight | 222.0812 |
| SMILES | BrC=1C=CC=C2C=C(N=CC12)C |
| Synonyms | 8-Bromo-3-methylisoquinoline,
1416713-03-5,
MFCD22689719,
8-bromo-3-methylisoquinoline, 95% - 1G 1g,
|
| 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