| CAS Number | 1368250-42-3 |
| Catalog Number | AG01BX5C |
| Chemical Name | 5-Bromo-7-Fluoroisoquinoline |
| IUPAC Name | 5-bromo-7-fluoroisoquinoline |
| InChI | InChI=1S/C9H5BrFN/c10-9-4-7(11)3-6-5-12-2-1-8(6)9/h1-5H |
| InChI Key | XOSLHAZDQHOMEE-UHFFFAOYSA-N |
| MDL Number | MFCD26667163 |
| Molecular Formula | C9H5BrFN |
| Molecular Weight | 226.0451 |
| SMILES | FC1=CC2=C(C(Br)=C1)C=CN=C2 |
| Synonyms | 5-bromo-7-fluoroisoquinoline,
1368250-42-3,
Isoquinoline, 5-bromo-7-fluoro-,
SCHEMBL15488451,
ZINC82767295,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.95894g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.04g/mol |
| Monoisotopic Mass | 224.95894g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number