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89247-22-3 | 3-Pyridinecarbonitrile, 6-chloro-5-nitro-4-(pentachlorophenoxy)-
CAS No: 89247-22-3 Catalog No: AG0042H2 MDL No:
Product Description
Catalog Number:
AG0042H2
Chemical Name:
3-Pyridinecarbonitrile, 6-chloro-5-nitro-4-(pentachlorophenoxy)-
CAS Number:
89247-22-3
Molecular Formula:
C12HCl6N3O3
Molecular Weight:
447.8726
IUPAC Name:
6-chloro-5-nitro-4-(2,3,4,5,6-pentachlorophenoxy)pyridine-3-carbonitrile
InChI:
InChI=1S/C12HCl6N3O3/c13-4-5(14)7(16)11(8(17)6(4)15)24-10-3(1-19)2-20-12(18)9(10)21(22)23/h2H
InChI Key:
KYZPCLATFRQDCX-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(c(c1Oc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)[N+](=O)[O-])Cl
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.812g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
447.858g/mol
Monoisotopic Mass:
444.815g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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