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Home > Nitro Compounds > 756482-91-4
756482-91-4 | Guanidine, N,N'''-1,2,4,5-tetrazine-3,6-diylbis[N'-nitro-
CAS No: 756482-91-4 Catalog No: AG005J16 MDL No:
Product Description
Catalog Number:
AG005J16
Chemical Name:
Guanidine, N,N'''-1,2,4,5-tetrazine-3,6-diylbis[N'-nitro-
CAS Number:
756482-91-4
Molecular Formula:
C4H6N12O4
Molecular Weight:
286.1684
IUPAC Name:
2-[6-[[amino(nitramido)methylidene]amino]-1,2,4,5-tetrazin-3-yl]-1-nitroguanidine
InChI:
InChI=1S/C4H6N12O4/c5-1(13-15(17)18)7-3-9-11-4(12-10-3)8-2(6)14-16(19)20/h(H3,5,7,9,10,13)(H3,6,8,11,12,14)
InChI Key:
VHEVCCRYDJDOKX-UHFFFAOYSA-N
SMILES:
N=C(N[N+](=O)[O-])Nc1nnc(nn1)NC(=N)N[N+](=O)[O-]
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.063g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
286.172g/mol
Monoisotopic Mass:
286.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
244A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
-2.6
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