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Home > Nitro Compounds > 177788-45-3
177788-45-3 | 1,2,5-Oxadiazole, 3-nitro-4-(3,4,5-trinitrophenyl)-, 5-oxide
CAS No: 177788-45-3 Catalog No: AG0025JC MDL No:
Product Description
Catalog Number:
AG0025JC
Chemical Name:
1,2,5-Oxadiazole, 3-nitro-4-(3,4,5-trinitrophenyl)-, 5-oxide
CAS Number:
177788-45-3
Molecular Formula:
C8H2N6O10
Molecular Weight:
342.1357
IUPAC Name:
4-nitro-2-oxido-3-(3,4,5-trinitrophenyl)-1,2,5-oxadiazol-2-ium
InChI:
InChI=1S/C8H2N6O10/c15-10(16)4-1-3(2-5(11(17)18)7(4)12(19)20)6-8(13(21)22)9-24-14(6)23/h1-2H
InChI Key:
BXDLIKNQBBILHO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(cc(cc1[N+](=O)[O-])c1[n+]([O-])onc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.983g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.136g/mol
Monoisotopic Mass:
341.983g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
235A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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