| CAS Number | 1222368-50-4 |
| Catalog Number | AG01A32N |
| Chemical Name | 6-Bromo-3-methylisoquinoline |
| IUPAC Name | 6-bromo-3-methylisoquinoline |
| InChI | InChI=1S/C10H8BrN/c1-7-4-9-5-10(11)3-2-8(9)6-12-7/h2-6H,1H3 |
| InChI Key | SMXSYILLOYOOPI-UHFFFAOYSA-N |
| MDL Number | MFCD22577212 |
| Molecular Formula | C10H8BrN |
| Molecular Weight | 222.0812 |
| SMILES | CC1=CC2=CC(=CC=C2C=N1)Br |
| Synonyms | 6-bromo-3-methylisoquinoline,
1222368-50-4,
6-bromo-3-methyl-isoquinoline,
SCHEMBL6845001,
Isoquinoline, 6-bromo-3-methyl-,
SMXSYILLOYOOPI-UHFFFAOYSA-N,
MFCD22577212,
ZINC79048200,
FCH2302490,
AX8270872,
6-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 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number