| CAS Number | 71083-44-8 |
| Catalog Number | AG00IC52(AGN-PC-0WQXVR) |
| Chemical Name | 3-Quinolinecarbonitrile, 6-fluoro- |
| IUPAC Name | 6-fluoroquinoline-3-carbonitrile |
| InChI | InChI=1S/C10H5FN2/c11-9-1-2-10-8(4-9)3-7(5-12)6-13-10/h1-4,6H |
| InChI Key | LXKNSJNSRKFPDH-UHFFFAOYSA-N |
| MDL Number | MFCD27927779 |
| Molecular Formula | C10H5FN2 |
| Molecular Weight | 172.1585 |
| SMILES | Fc1ccc2ncc(cc2c1)C#N |
| Synonyms | 6-FLUOROQUINOLINE-3-CARBONITRILE,
71083-44-8,
3-Quinolinecarbonitrile, 6-fluoro-,
CS-0060208,
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| 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 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number