56982-41-3
4-[2-(4-PENTYLPHENYL)ETHYNYL]-BENZONITRILE
Name4-[2-(4-PENTYLPHENYL)ETHYNYL]-BENZONITRILE
1Identification
【Name】
4-[2-(4-PENTYLPHENYL)ETHYNYL]-BENZONITRILE
【CAS】
【MDL】
MFCD18207371
【English Synonyms】
【Formula】
C20 H19 N
【MolWeight】
273.377
【Inchi】
InChI=1S/C20H19N/c1-2-3-4-5-17-6-8-18(9-7-17)10-11-19-12-14-20(16-21)15-13-19/h6-9,12-15H,2-5H2,1H3
【InChIKey】
InChIKey=FXQIMFIGGHKPGL-UHFFFAOYSA-N
【SMILES】
CCCCCc1ccc(cc1)C#Cc2ccc(cc2)C#N
【MOL File】
4-[2-(4-PENTYLPHENYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[2-(4-PENTYLPHENYL)ETHYNYL]-BENZONITRILE.cml