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Home > Nitro Compounds > 30595-49-4
30595-49-4 | 2H-1,2,3-Triazole, 2-(2,4-dinitrophenyl)-4-nitro-
CAS No: 30595-49-4 Catalog No: AG0030MU MDL No:
Product Description
Catalog Number:
AG0030MU
Chemical Name:
2H-1,2,3-Triazole, 2-(2,4-dinitrophenyl)-4-nitro-
CAS Number:
30595-49-4
Molecular Formula:
C8H4N6O6
Molecular Weight:
280.1540
IUPAC Name:
2-(2,4-dinitrophenyl)-4-nitrotriazole
InChI:
InChI=1S/C8H4N6O6/c15-12(16)5-1-2-6(7(3-5)13(17)18)11-9-4-8(10-11)14(19)20/h1-4H
InChI Key:
DKFGECAWYCUCMZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])n1ncc(n1)[N+](=O)[O-]
NSC Number:
127454
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.019g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.156g/mol
Monoisotopic Mass:
280.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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