| CAS Number | 71083-55-1 |
| Catalog Number | AG019EX2 |
| Chemical Name | 6,8-Difluoroquinoline-3-carbonitrile |
| IUPAC Name | 6,8-difluoroquinoline-3-carbonitrile |
| InChI | InChI=1S/C10H4F2N2/c11-8-2-7-1-6(4-13)5-14-10(7)9(12)3-8/h1-3,5H |
| InChI Key | ZSIDBZGYDGHXOA-UHFFFAOYSA-N |
| MDL Number | MFCD27927783 |
| Molecular Formula | C10H4F2N2 |
| Molecular Weight | 190.1490 |
| SMILES | Fc1cc(F)c2ncc(cc2c1)C#N |
| Synonyms | 6,8-difluoroquinoline-3-carbonitrile,
71083-55-1,
3-Quinolinecarbonitrile, 6,8-difluoro-,
MFCD27927783,
CS-0062121,
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| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.153g/mol |
| Monoisotopic Mass | 190.034g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number