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Home > Nitro Compounds > 88964-92-5
88964-92-5 | Diazene, bis(5-nitro-2-propoxyphenyl)-, 1-oxide
CAS No: 88964-92-5 Catalog No: AG0045X1 MDL No:
Product Description
Catalog Number:
AG0045X1
Chemical Name:
Diazene, bis(5-nitro-2-propoxyphenyl)-, 1-oxide
CAS Number:
88964-92-5
Molecular Formula:
C18H20N4O7
Molecular Weight:
404.3740
IUPAC Name:
(5-nitro-2-propoxyphenyl)-(5-nitro-2-propoxyphenyl)imino-oxidoazanium
InChI:
InChI=1S/C18H20N4O7/c1-3-9-28-17-7-5-13(21(24)25)11-15(17)19-20(23)16-12-14(22(26)27)6-8-18(16)29-10-4-2/h5-8,11-12H,3-4,9-10H2,1-2H3
InChI Key:
IGSXUXJGQDTWIK-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1N=[N+](c1cc(ccc1OCCC)[N+](=O)[O-])[O-])[N+](=O)[O-]
Properties
Complexity:
578
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.133g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.379g/mol
Monoisotopic Mass:
404.133g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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