| CAS Number | 17654-70-5 |
| Catalog Number | AG01DTQ2(AGN-PC-0NGHYN) |
| Chemical Name | 1,3-Benzenedicarbonitrile, 4,6-difluoro- |
| IUPAC Name | 4,6-difluorobenzene-1,3-dicarbonitrile |
| InChI | InChI=1S/C8H2F2N2/c9-7-2-8(10)6(4-12)1-5(7)3-11/h1-2H |
| InChI Key | UAKXPKOAUDLYKN-UHFFFAOYSA-N |
| MDL Number | MFCD19440215 |
| Molecular Formula | C8H2F2N2 |
| Molecular Weight | 164.1117 |
| SMILES | FC1=C(C=C(C(=C1)F)C#N)C#N |
| Synonyms | 17654-70-5,
1,3-Benzenedicarbonitrile, 4,6-difluoro-,
4,6-difluorobenzene-1,3-dicarbonitrile,
SCHEMBL9489932,
CHEMBL3244467,
CID11137466,
1,3-Benzenedicarbonitrile,4,6-difluoro-,
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| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.115g/mol |
| Monoisotopic Mass | 164.019g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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