| CAS Number | 1196151-59-3 |
| Catalog Number | AG01BJ66 |
| Chemical Name | 1-Bromo-6-fluoroisoquinoline |
| IUPAC Name | 1-bromo-6-fluoroisoquinoline |
| InChI | InChI=1S/C9H5BrFN/c10-9-8-2-1-7(11)5-6(8)3-4-12-9/h1-5H |
| InChI Key | WJLWKPCARWIZMJ-UHFFFAOYSA-N |
| MDL Number | MFCD13190251 |
| Molecular Formula | C9H5BrFN |
| Molecular Weight | 226.0451 |
| SMILES | FC1=CC2=C(C(Br)=NC=C2)C=C1 |
| Synonyms | 1-BROMO-6-FLUOROISOQUINOLINE,
1196151-59-3,
1-Bromo-6-fluoro-isoquinoline,
SCHEMBL18281239,
AB70062,
|
| 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 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number