| CAS Number | 71083-52-8 |
| Catalog Number | AG00IC53(AGN-PC-0WO14M) |
| Chemical Name | 8-Fluoroquinoline-3-carbonitrile |
| IUPAC Name | 8-fluoroquinoline-3-carbonitrile |
| InChI | InChI=1S/C10H5FN2/c11-9-3-1-2-8-4-7(5-12)6-13-10(8)9/h1-4,6H |
| InChI Key | HNRWQTSDXOMTGG-UHFFFAOYSA-N |
| MDL Number | MFCD27500875 |
| Molecular Formula | C10H5FN2 |
| Molecular Weight | 172.1585 |
| SMILES | FC1=CC=CC2=C1N=CC(C#N)=C2 |
| Synonyms | 8-FLUOROQUINOLINE-3-CARBONITRILE,
71083-52-8,
3-Quinolinecarbonitrile, 8-fluoro-,
MFCD27500875,
ZINC83271865,
AKOS022968751,
Z1946235607,
|
| 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