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823227-47-0 | Benzonitrile, 2-[[2-[(3-cyanophenyl)ethynyl]phenyl]ethynyl]-
CAS No: 823227-47-0 Catalog No: AG005E5Y MDL No:
Product Description
Catalog Number:
AG005E5Y
Chemical Name:
Benzonitrile, 2-[[2-[(3-cyanophenyl)ethynyl]phenyl]ethynyl]-
CAS Number:
823227-47-0
Molecular Formula:
C24H12N2
Molecular Weight:
328.3655
IUPAC Name:
2-[2-[2-[2-(3-cyanophenyl)ethynyl]phenyl]ethynyl]benzonitrile
InChI:
InChI=1S/C24H12N2/c25-17-20-7-5-6-19(16-20)12-13-21-8-1-2-9-22(21)14-15-23-10-3-4-11-24(23)18-26/h1-11,16H
InChI Key:
FKAZHELZQJWSOT-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C#Cc1ccccc1C#Cc1ccccc1C#N
Properties
Complexity:
718
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.1g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.374g/mol
Monoisotopic Mass:
328.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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