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Home > Nitro Compounds > 88964-93-6
88964-93-6 | Diazene, bis[5-nitro-2-(phenylmethoxy)phenyl]-, 1-oxide
CAS No: 88964-93-6 Catalog No: AG0045YI MDL No:
Product Description
Catalog Number:
AG0045YI
Chemical Name:
Diazene, bis[5-nitro-2-(phenylmethoxy)phenyl]-, 1-oxide
CAS Number:
88964-93-6
Molecular Formula:
C26H20N4O7
Molecular Weight:
500.4596
IUPAC Name:
(5-nitro-2-phenylmethoxyphenyl)-(5-nitro-2-phenylmethoxyphenyl)imino-oxidoazanium
InChI:
InChI=1S/C26H20N4O7/c31-28(24-16-22(30(34)35)12-14-26(24)37-18-20-9-5-2-6-10-20)27-23-15-21(29(32)33)11-13-25(23)36-17-19-7-3-1-4-8-19/h1-16H,17-18H2
InChI Key:
HFRARUDOHQOPRO-UHFFFAOYSA-N
SMILES:
[O-][N+](=Nc1cc(ccc1OCc1ccccc1)[N+](=O)[O-])c1cc(ccc1OCc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
774
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
500.133g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
500.467g/mol
Monoisotopic Mass:
500.133g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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