| CAS Number | 1378874-27-1 |
| Catalog Number | AG01A0Y6 |
| Chemical Name | 8-Bromo-5-fluoroisoquinoline |
| IUPAC Name | 8-bromo-5-fluoroisoquinoline |
| InChI | InChI=1S/C9H5BrFN/c10-8-1-2-9(11)6-3-4-12-5-7(6)8/h1-5H |
| InChI Key | QUJQDOYLFSTNOT-UHFFFAOYSA-N |
| MDL Number | MFCD11846307 |
| Molecular Formula | C9H5BrFN |
| Molecular Weight | 226.0451 |
| SMILES | FC1=CC=C(Br)C2=C1C=CN=C2 |
| Synonyms | 8-bromo-5-fluoroisoquinoline,
1378874-27-1,
ZINC82767282,
AKOS022880267,
Z2230911630,
|
| 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