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143824-84-4

143824-84-4 | 1,2-Benzenedicarbonitrile, 3,4,5,6-tetrakis(2-naphthalenyloxy)-

CAS No: 143824-84-4 Catalog No: AG001IFO MDL No:

Product Description

Catalog Number:
AG001IFO
Chemical Name:
1,2-Benzenedicarbonitrile, 3,4,5,6-tetrakis(2-naphthalenyloxy)-
CAS Number:
143824-84-4
Molecular Formula:
C48H28N2O4
Molecular Weight:
696.7469
IUPAC Name:
3,4,5,6-tetranaphthalen-2-yloxybenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C48H28N2O4/c49-29-43-44(30-50)46(52-40-22-18-32-10-2-6-14-36(32)26-40)48(54-42-24-20-34-12-4-8-16-38(34)28-42)47(53-41-23-19-33-11-3-7-15-37(33)27-41)45(43)51-39-21-17-31-9-1-5-13-35(31)25-39/h1-28H
InChI Key:
ZLKQHVFRGGFSBS-UHFFFAOYSA-N
SMILES:
N#Cc1c(Oc2ccc3c(c2)cccc3)c(Oc2ccc3c(c2)cccc3)c(c(c1C#N)Oc1ccc2c(c1)cccc2)Oc1ccc2c(c1)cccc2

Properties

Complexity:
1240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
696.205g/mol
Formal Charge:
0
Heavy Atom Count:
54  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
696.762g/mol
Monoisotopic Mass:
696.205g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.5  

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