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99902-94-0

99902-94-0 | 2-(3,4-DICHLOROPHENOXY)-4-PYRIDINECARBONITRILE

CAS No: 99902-94-0 Catalog No: AG003VUL MDL No:

Product Description

Catalog Number:
AG003VUL
Chemical Name:
2-(3,4-DICHLOROPHENOXY)-4-PYRIDINECARBONITRILE
CAS Number:
99902-94-0
Molecular Formula:
C12H6Cl2N2O
Molecular Weight:
265.0948
IUPAC Name:
2-(3,4-dichlorophenoxy)pyridine-4-carbonitrile
InChI:
InChI=1S/C12H6Cl2N2O/c13-10-2-1-9(6-11(10)14)17-12-5-8(7-15)3-4-16-12/h1-6H
InChI Key:
IFKUMJHUUPRDGR-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc(c1)Oc1ccc(c(c1)Cl)Cl

Properties

Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.986g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.093g/mol
Monoisotopic Mass:
263.986g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

Literature

Title Journal
Antipicornavirus activity of substituted phenoxybenzenes and phenoxypyridines. Journal of medicinal chemistry 19860301

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