| CAS Number | 1207448-41-6 |
| Catalog Number | AG008W4F(AGN-PC-0WCR47) |
| Chemical Name | 1-Bromo-5-chloroisoquinoline |
| IUPAC Name | 1-bromo-5-chloroisoquinoline |
| InChI | InChI=1S/C9H5BrClN/c10-9-7-2-1-3-8(11)6(7)4-5-12-9/h1-5H |
| InChI Key | OEWLUXJBVGFCGR-UHFFFAOYSA-N |
| MDL Number | MFCD15832825 |
| Molecular Formula | C9H5BrClN |
| Molecular Weight | 242.4997 |
| SMILES | C1=CC2=C(C=CN=C2Br)C(=C1)Cl |
| Synonyms | 1-bromo-5-chloroisoquinoline,
1207448-41-6,
DTXSID20856622,
MFCD15832825,
ZINC82766527,
FCH1391514,
QC-3398,
DA-19258,
FT-0735287,
C-0481,
F2147-8762,
|
| 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