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Home > Nitro Compounds > 18922-71-9
18922-71-9 | 1H-1,2,3-Triazole, 1-(2,4,6-trinitrophenyl)-
CAS No: 18922-71-9 Catalog No: AG002I34 MDL No:
Product Description
Catalog Number:
AG002I34
Chemical Name:
1H-1,2,3-Triazole, 1-(2,4,6-trinitrophenyl)-
CAS Number:
18922-71-9
Molecular Formula:
C8H4N6O6
Molecular Weight:
280.1540
IUPAC Name:
1-(2,4,6-trinitrophenyl)triazole
InChI:
InChI=1S/C8H4N6O6/c15-12(16)5-3-6(13(17)18)8(7(4-5)14(19)20)11-2-1-9-10-11/h1-4H
InChI Key:
HDNRXSJKCZUSGW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1n1ccnn1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
391
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:
0.8
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