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674283-80-8 | Benzene, 4-chloro-2-(4-chloro-2-nitrophenoxy)-1-(2,4-dichlorophenoxy)-
CAS No: 674283-80-8 Catalog No: AG005OH5 MDL No:
Product Description
Catalog Number:
AG005OH5
Chemical Name:
Benzene, 4-chloro-2-(4-chloro-2-nitrophenoxy)-1-(2,4-dichlorophenoxy)-
CAS Number:
674283-80-8
Molecular Formula:
C18H9Cl4NO4
Molecular Weight:
445.0804
IUPAC Name:
4-chloro-1-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]-2-nitrobenzene
InChI:
InChI=1S/C18H9Cl4NO4/c19-10-1-4-15(13(22)7-10)26-17-6-3-12(21)9-18(17)27-16-5-2-11(20)8-14(16)23(24)25/h1-9H
InChI Key:
JJBULAUAQVMYKB-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Oc1ccc(cc1[N+](=O)[O-])Cl)Oc1ccc(cc1Cl)Cl
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.926g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
445.073g/mol
Monoisotopic Mass:
442.929g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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