| CAS Number | 1276056-79-1 |
| Catalog Number | AG009E4U(AGN-PC-0WNPZ3) |
| Chemical Name | 3-Bromo-6-chloroisoquinoline |
| IUPAC Name | 3-bromo-6-chloroisoquinoline |
| InChI | InChI=1S/C9H5BrClN/c10-9-4-7-3-8(11)2-1-6(7)5-12-9/h1-5H |
| InChI Key | NAABYMOOMLEFPU-UHFFFAOYSA-N |
| MDL Number | MFCD18793407 |
| Molecular Formula | C9H5BrClN |
| Molecular Weight | 242.4997 |
| SMILES | C1=CC2=CN=C(C=C2C=C1Cl)Br |
| Synonyms | 3-Bromo-6-chloroisoquinoline,
1276056-79-1,
SCHEMBL16937582,
ZX-AT001734,
MFCD18793407,
ZINC66322877,
FCH1611901,
OR300092,
C-0328,
3-bromo-6-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