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Home > Nitro Compounds > 14594-70-8
14594-70-8 | Benzene, 1,1'-[methylenebis(oxy)]bis[4-nitro-
CAS No: 14594-70-8 Catalog No: AG001DJJ MDL No:
Product Description
Catalog Number:
AG001DJJ
Chemical Name:
Benzene, 1,1'-[methylenebis(oxy)]bis[4-nitro-
CAS Number:
14594-70-8
Molecular Formula:
C13H10N2O6
Molecular Weight:
290.2283
IUPAC Name:
1-nitro-4-[(4-nitrophenoxy)methoxy]benzene
InChI:
InChI=1S/C13H10N2O6/c16-14(17)10-1-5-12(6-2-10)20-9-21-13-7-3-11(4-8-13)15(18)19/h1-8H,9H2
InChI Key:
SKMIDTLZYXSDBU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)OCOc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.054g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.231g/mol
Monoisotopic Mass:
290.054g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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