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116074-16-9 | Benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis[4-chloro-2-nitro- (9CI)
CAS No: 116074-16-9 Catalog No: AG000BK1 MDL No:
Product Description
Catalog Number:
AG000BK1
Chemical Name:
Benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis[4-chloro-2-nitro- (9CI)
CAS Number:
116074-16-9
Molecular Formula:
C14H10Cl2N2O6
Molecular Weight:
373.1450
IUPAC Name:
4-chloro-1-[2-(4-chloro-2-nitrophenoxy)ethoxy]-2-nitrobenzene
InChI:
InChI=1S/C14H10Cl2N2O6/c15-9-1-3-13(11(7-9)17(19)20)23-5-6-24-14-4-2-10(16)8-12(14)18(21)22/h1-4,7-8H,5-6H2
InChI Key:
SFYZGHIDLYFCJY-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)[N+](=O)[O-])OCCOc1ccc(cc1[N+](=O)[O-])Cl
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.992g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.142g/mol
Monoisotopic Mass:
371.992g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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