| CAS Number | 918491-52-8 |
| Catalog Number | AG01CAAU |
| Chemical Name | 8-Chloro-6-fluoroisoquinoline |
| IUPAC Name | 8-chloro-6-fluoroisoquinoline |
| InChI | InChI=1S/C9H5ClFN/c10-9-4-7(11)3-6-1-2-12-5-8(6)9/h1-5H |
| InChI Key | OKJGMKGYRXNFHN-UHFFFAOYSA-N |
| MDL Number | MFCD29048127 |
| Molecular Formula | C9H5ClFN |
| Molecular Weight | 181.5941 |
| SMILES | FC1=CC2=C(C=NC=C2)C(Cl)=C1 |
| Synonyms | 8-chloro-6-fluoroisoquinoline,
918491-52-8,
Isoquinoline, 8-chloro-6-fluoro-,
SCHEMBL2505280,
AKOS034086523,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.594g/mol |
| Monoisotopic Mass | 181.009g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number