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Home > Nitro Compounds > 53304-63-5
53304-63-5 | 2- 2-[1,3-phenylenebis(oxy)]bis[5-nitro- (9CI)-Pyridine
CAS No: 53304-63-5 Catalog No: AG01DTML MDL No:
Product Description
Catalog Number:
AG01DTML
Chemical Name:
2- 2-[1,3-phenylenebis(oxy)]bis[5-nitro- (9CI)-Pyridine
CAS Number:
53304-63-5
Molecular Formula:
C16H10N4O6
Molecular Weight:
354.2738
IUPAC Name:
5-nitro-2-[3-(5-nitropyridin-2-yl)oxyphenoxy]pyridine
InChI:
InChI=1S/C16H10N4O6/c21-19(22)11-4-6-15(17-9-11)25-13-2-1-3-14(8-13)26-16-7-5-12(10-18-16)20(23)24/h1-10H
InChI Key:
MMFKMKSWZFZKIE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(nc1)Oc1cccc(c1)Oc1ccc(cn1)[N+](=O)[O-]
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.06g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.278g/mol
Monoisotopic Mass:
354.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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