| CAS Number | 61469-71-4 |
| Catalog Number | AG003JZM(AGN-PC-0DAFUQ) |
| Chemical Name | (Z)-4-(2-Cyano-2-Phenylvinyl)Benzonitrile |
| IUPAC Name | 2-[2-(4-cyanophenyl)ethenyl]benzonitrile |
| InChI | InChI=1S/C16H10N2/c17-11-14-7-5-13(6-8-14)9-10-15-3-1-2-4-16(15)12-18/h1-10H |
| InChI Key | FVENBNYAMBDRRJ-UHFFFAOYSA-N |
| MDL Number | MFCD22495133 |
| Molecular Formula | C16H10N2 |
| Molecular Weight | 230.2640 |
| SMILES | N#CC1=CC=C(/C=C(C#N)/C2=CC=CC=C2)C=C1 |
| Synonyms | 4-(2-cyano-phenylethenyl)benzonitrile,
61469-71-4,
ACMC-20p1dn,
SCHEMBL1687897,
CTK9A5788,
DTXSID40733840,
KS-000001XI,
AKOS030227959,
2-[2-(4-cyanophenyl)ethenyl]benzonitrile,
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| Complexity | 384 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.27g/mol |
| Monoisotopic Mass | 230.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number