| CAS Number | 1246552-90-8 |
| Catalog Number | AG009DFG(AGN-PC-0WNOIC) |
| Chemical Name | 3-Bromo-7-chloroisoquinoline |
| IUPAC Name | 3-bromo-7-chloroisoquinoline |
| InChI | InChI=1S/C9H5BrClN/c10-9-4-6-1-2-8(11)3-7(6)5-12-9/h1-5H |
| InChI Key | ZLAFRLYZTMTUOQ-UHFFFAOYSA-N |
| MDL Number | MFCD18250414 |
| Molecular Formula | C9H5BrClN |
| Molecular Weight | 242.4997 |
| SMILES | BrC=1N=CC2=CC(=CC=C2C1)Cl |
| Synonyms | 3-BROMO-7-CHLOROISOQUINOLINE,
1246552-90-8,
SCHEMBL14330642,
DTXSID90725497,
Isoquinoline, 3-bromo-7-chloro-,
ZX-AT001705,
MFCD18250414,
ZINC66322879,
AB72948,
FCH1364697,
QC-3845,
OR300094,
AB0091737,
CS-0082163,
C-2569,
3-bromo-7-chloroisoquinoline, 95% - 1G 1g,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.929g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.5g/mol |
| Monoisotopic Mass | 240.929g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number