| CAS Number | 2094685-40-0 |
| Catalog Number | AG01E83D |
| Chemical Name | 7-Bromo-8-fluoroisoquinoline |
| IUPAC Name | 7-bromo-8-fluoroisoquinoline |
| InChI | InChI=1S/C9H5BrFN/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-5H |
| InChI Key | OKLBOBJCIDTQCO-UHFFFAOYSA-N |
| MDL Number | MFCD30750668 |
| Molecular Formula | C9H5BrFN |
| Molecular Weight | 226.0451 |
| SMILES | FC1=C(Br)C=CC2=C1C=NC=C2 |
| Synonyms | 7-bromo-8-fluoroisoquinoline,
2094685-40-0,
MFCD30750668,
AKOS034045942,
Z2832013758,
|
| 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