| CAS Number | 1312905-33-1 |
| Catalog Number | AG009E93 |
| Chemical Name | 8-Bromo-1-methylisoquinoline |
| IUPAC Name | 8-bromo-1-methylisoquinoline |
| InChI | InChI=1S/C10H8BrN/c1-7-10-8(5-6-12-7)3-2-4-9(10)11/h2-6H,1H3 |
| InChI Key | CAJMCLYXTVCWMP-UHFFFAOYSA-N |
| MDL Number | MFCD22689698 |
| Molecular Formula | C10H8BrN |
| Molecular Weight | 222.0812 |
| SMILES | BrC=1C=CC=C2C=CN=C(C12)C |
| Synonyms | 8-Bromo-1-methylisoquinoline,
1312905-33-1,
MFCD22689698,
ZINC95616450,
8-bromo-1-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 |
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Certificate of Analysis
Lot Number