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Home > Nitro Compounds > 88964-91-4
88964-91-4 | Diazene, bis[2-(2-methoxyethoxy)-5-nitrophenyl]-, 1-oxide
CAS No: 88964-91-4 Catalog No: AG0047HM MDL No:
Product Description
Catalog Number:
AG0047HM
Chemical Name:
Diazene, bis[2-(2-methoxyethoxy)-5-nitrophenyl]-, 1-oxide
CAS Number:
88964-91-4
Molecular Formula:
C18H20N4O9
Molecular Weight:
436.3728
IUPAC Name:
[2-(2-methoxyethoxy)-5-nitrophenyl]-[2-(2-methoxyethoxy)-5-nitrophenyl]imino-oxidoazanium
InChI:
InChI=1S/C18H20N4O9/c1-28-7-9-30-17-5-3-13(21(24)25)11-15(17)19-20(23)16-12-14(22(26)27)4-6-18(16)31-10-8-29-2/h3-6,11-12H,7-10H2,1-2H3
InChI Key:
OIKCENOOXIJKEY-UHFFFAOYSA-N
SMILES:
COCCOc1ccc(cc1N=[N+](c1cc(ccc1OCCOC)[N+](=O)[O-])[O-])[N+](=O)[O-]
Properties
Complexity:
610
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.123g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
436.377g/mol
Monoisotopic Mass:
436.123g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
170A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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