| CAS Number | 1935199-41-9 |
| Catalog Number | AG01C44D |
| Chemical Name | 8-Bromo-6-fluoroisoquinoline |
| IUPAC Name | 8-bromo-6-fluoroisoquinoline |
| InChI | InChI=1S/C9H5BrFN/c10-9-4-7(11)3-6-1-2-12-5-8(6)9/h1-5H |
| InChI Key | HCZGXSHJAQARMI-UHFFFAOYSA-N |
| MDL Number | MFCD30476074 |
| Molecular Formula | C9H5BrFN |
| Molecular Weight | 226.0451 |
| SMILES | FC1=CC2=C(C=NC=C2)C(Br)=C1 |
| Synonyms | 8-bromo-6-fluoroisoquinoline,
1935199-41-9,
AKOS033976299,
ZINC307193799,
Z2678251593,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.048g/mol |
| Monoisotopic Mass | 224.959g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number