| CAS Number | 42289-52-1 |
| Catalog Number | AG00CLOD(AGN-PC-0K4NFD) |
| Chemical Name | 4-(2-Cyanophenyl)benzonitrile |
| IUPAC Name | 2-(4-cyanophenyl)benzonitrile |
| InChI | InChI=1S/C14H8N2/c15-9-11-5-7-12(8-6-11)14-4-2-1-3-13(14)10-16/h1-8H |
| InChI Key | LCMOCANUWRJQAS-UHFFFAOYSA-N |
| MDL Number | MFCD05980346 |
| Molecular Formula | C14H8N2 |
| Molecular Weight | 204.2267 |
| SMILES | N#Cc1ccc(cc1)c1ccccc1C#N |
| Synonyms | 42289-52-1,
[1,1'-Biphenyl]-2,4'-dicarbonitrile,
4-(2-Cyanophenyl)benzonitrile,
ACMC-209jot,
CTK8B1678,
DTXSID10362722,
ZINC1259498,
5838AB,
ANW-29787,
MFCD05980346,
AKOS015888566,
AJ-25267,
AX8242823,
TC-118532,
I01-11257,
C14H8N2,
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| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.232g/mol |
| Monoisotopic Mass | 204.069g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number