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Home > Nitro Compounds > 67459-39-6
67459-39-6 | 2H-Tetrazole, 5,5'-(1,4-phenylene)bis[2-(2,4-dinitrophenyl)-
CAS No: 67459-39-6 Catalog No: AG005O3D MDL No:
Product Description
Catalog Number:
AG005O3D
Chemical Name:
2H-Tetrazole, 5,5'-(1,4-phenylene)bis[2-(2,4-dinitrophenyl)-
CAS Number:
67459-39-6
Molecular Formula:
C20H10N12O8
Molecular Weight:
546.3690
IUPAC Name:
2-(2,4-dinitrophenyl)-5-[4-[2-(2,4-dinitrophenyl)tetrazol-5-yl]phenyl]tetrazole
InChI:
InChI=1S/C20H10N12O8/c33-29(34)13-5-7-15(17(9-13)31(37)38)27-23-19(21-25-27)11-1-2-12(4-3-11)20-22-26-28(24-20)16-8-6-14(30(35)36)10-18(16)32(39)40/h1-10H
InChI Key:
LCZQUELFQJOVML-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1n1nnc(n1)c1ccc(cc1)c1nnn(n1)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
887
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
546.074g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
546.376g/mol
Monoisotopic Mass:
546.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
271A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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