| CAS Number | 1368344-45-9 |
| Catalog Number | AG01AC62(AGN-PC-0WOAR7) |
| Chemical Name | 8-Fluoroisoquinoline-5-carbonitrile |
| IUPAC Name | 8-fluoroisoquinoline-5-carbonitrile |
| InChI | InChI=1S/C10H5FN2/c11-10-2-1-7(5-12)8-3-4-13-6-9(8)10/h1-4,6H |
| InChI Key | LZWQYAAANDPQJE-UHFFFAOYSA-N |
| MDL Number | MFCD26407892 |
| Molecular Formula | C10H5FN2 |
| Molecular Weight | 172.1585 |
| SMILES | N#CC1=CC=C(F)C2=C1C=CN=C2 |
| Synonyms | 8-fluoroisoquinoline-5-carbonitrile,
1368344-45-9,
SCHEMBL20554636,
ZINC82768429,
AKOS022881434,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.162g/mol |
| Monoisotopic Mass | 172.044g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number