| CAS Number | 1416500-77-0 |
| Catalog Number | AG009YRP(AGN-PC-0WCXTC) |
| Chemical Name | 4-BROMO-7-FLUOROISOQUINOLINE |
| IUPAC Name | 4-bromo-7-fluoroisoquinoline |
| InChI | InChI=1S/C9H5BrFN/c10-9-5-12-4-6-3-7(11)1-2-8(6)9/h1-5H |
| InChI Key | DXANYJSMNHLBAV-UHFFFAOYSA-N |
| MDL Number | MFCD28661639 |
| Molecular Formula | C9H5BrFN |
| Molecular Weight | 226.0451 |
| SMILES | FC1=CC2=C(C=C1)C(Br)=CN=C2 |
| Synonyms | 4-Bromo-7-fluoroisoquinoline,
1416500-77-0,
Isoquinoline, 4-bromo-7-fluoro-,
MFCD28661639,
ZINC220484730,
AS-49599,
49609-16-7,
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| 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 |
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Certificate of Analysis
Lot Number