Home Nitriles 4-[(4-pentylphenyl)ethynyl]benzonitrile

4-[(4-pentylphenyl)ethynyl]benzonitrile

CAS No.:
56982-41-3
Catalog Number:
AG0038N4
Molecular Formula:
C20H19N
Molecular Weight:
273.3716
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Product Description
Catalog Number:
AG0038N4
Chemical Name:
4-[(4-pentylphenyl)ethynyl]benzonitrile
CAS Number:
56982-41-3
Molecular Formula:
C20H19N
Molecular Weight:
273.3716
MDL Number:
MFCD18207371
IUPAC Name:
4-[2-(4-pentylphenyl)ethynyl]benzonitrile
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
InChI Key:
FXQIMFIGGHKPGL-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)C#Cc1ccc(cc1)C#N
Properties
Complexity:
399  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.152g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.379g/mol
Monoisotopic Mass:
273.152g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1  
Properties