28487-61-8
4-[1-CYANO-2-(4-CYANOPHENYL)ETHYL]BENZONITRILE
Name4-[1-CYANO-2-(4-CYANOPHENYL)ETHYL]BENZONITRILE
1Identification
【Name】
4-[1-CYANO-2-(4-CYANOPHENYL)ETHYL]BENZONITRILE
【CAS】
【MDL】
MFCD09270111
【English Synonyms】
【Formula】
C17 H11 N3
【MolWeight】
257.295
【Inchi】
InChI=1S/C17H11N3/c18-10-14-3-1-13(2-4-14)9-17(12-20)16-7-5-15(11-19)6-8-16/h1-8,17H,9H2
【InChIKey】
InChIKey=CZSUCJJIYBEUFD-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1CC(C#N)c2ccc(cc2)C#N)C#N
【MOL File】
4-[1-CYANO-2-(4-CYAN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[1-CYANO-2-(4-CYANOPHENYL)ETHYL]BENZONITRILE.cml