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89247-16-5 | 3-Pyridinecarbonitrile, 6-chloro-4-(3,5-dichlorophenoxy)-5-nitro-
CAS No: 89247-16-5 Catalog No: AG0042H6 MDL No:
Product Description
Catalog Number:
AG0042H6
Chemical Name:
3-Pyridinecarbonitrile, 6-chloro-4-(3,5-dichlorophenoxy)-5-nitro-
CAS Number:
89247-16-5
Molecular Formula:
C12H4Cl3N3O3
Molecular Weight:
344.5375
IUPAC Name:
6-chloro-4-(3,5-dichlorophenoxy)-5-nitropyridine-3-carbonitrile
InChI:
InChI=1S/C12H4Cl3N3O3/c13-7-1-8(14)3-9(2-7)21-11-6(4-16)5-17-12(15)10(11)18(19)20/h1-3,5H
InChI Key:
BQPCAJMPYJRVDC-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(c(c1Oc1cc(Cl)cc(c1)Cl)[N+](=O)[O-])Cl
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.932g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.532g/mol
Monoisotopic Mass:
342.932g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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