| CAS Number | 834884-79-6 |
| Catalog Number | AG003K5M(AGN-PC-00UQPD) |
| Chemical Name | 4-(6-Formyl-2-pyridinyl)benzonitrile |
| IUPAC Name | 4-(6-formylpyridin-2-yl)benzonitrile |
| InChI | InChI=1S/C13H8N2O/c14-8-10-4-6-11(7-5-10)13-3-1-2-12(9-16)15-13/h1-7,9H |
| InChI Key | PPAQGUBYGPCPLW-UHFFFAOYSA-N |
| MDL Number | MFCD07368905 |
| Molecular Formula | C13H8N2O |
| Molecular Weight | 208.2154 |
| SMILES | c1cc(nc(c1)c2ccc(cc2)C#N)C=O |
| Synonyms | 4-(6-Formylpyridin-2-yl)benzonitrile,
834884-79-6,
4-(6-FORMYL-(PYRIDIN-2-YL))-BENZONITRILE,
ACMC-20amvf,
SCHEMBL303840,
CTK5F0746,
DTXSID30584626,
PPAQGUBYGPCPLW-UHFFFAOYSA-N,
BM512,
ZXBA000396,
MFCD07368905,
ZINC25757186,
AKOS015960170,
6-(4-Cyanophenyl)pyridine-2-carbaldehyde,
RT-020071,
4-(6-Formylpyridin-2-yl)benzonitrile, 97%,
4- BENZONITRILE,9&,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.22g/mol |
| Monoisotopic Mass | 208.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number