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925702-80-3

925702-80-3 | Quinoline, 8,8'-(1,3,4-oxadiazole-2,5-diyl)bis[3,7-dichloro-

CAS No: 925702-80-3 Catalog No: AG006GN5 MDL No:

Product Description

Catalog Number:
AG006GN5
Chemical Name:
Quinoline, 8,8'-(1,3,4-oxadiazole-2,5-diyl)bis[3,7-dichloro-
CAS Number:
925702-80-3
Molecular Formula:
C20H8Cl4N4O
Molecular Weight:
462.1157
IUPAC Name:
2,5-bis(3,7-dichloroquinolin-8-yl)-1,3,4-oxadiazole
InChI:
InChI=1S/C20H8Cl4N4O/c21-11-5-9-1-3-13(23)15(17(9)25-7-11)19-27-28-20(29-19)16-14(24)4-2-10-6-12(22)8-26-18(10)16/h1-8H
InChI Key:
GEYHKMGMOOIVKZ-UHFFFAOYSA-N
SMILES:
Clc1cnc2c(c1)ccc(c2c1nnc(o1)c1c(Cl)ccc2c1ncc(c2)Cl)Cl

Properties

Complexity:
541  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
461.942g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
462.111g/mol
Monoisotopic Mass:
459.945g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1  

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