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Home > Nitro Compounds > 7120-73-2
7120-73-2 | 1,3,5-triethoxy-2,4,6-trinitrobenzene
CAS No: 7120-73-2 Catalog No: AG005KCC MDL No:
Product Description
Catalog Number:
AG005KCC
Chemical Name:
1,3,5-triethoxy-2,4,6-trinitrobenzene
CAS Number:
7120-73-2
Molecular Formula:
C12H15N3O9
Molecular Weight:
345.2622
IUPAC Name:
benzotriazolo[2,1-a]benzotriazol-5-ium-6-ide
InChI:
InChI=1S/C12H8N4/c1-3-7-11-9(5-1)13-16-12-8-4-2-6-10(12)14-15(11)16/h1-8H
InChI Key:
GNYDVCSYVQXVGF-UHFFFAOYSA-N
SMILES:
CCOc1c([N+](=O)[O-])c(OCC)c(c(c1[N+](=O)[O-])OCC)[N+](=O)[O-]
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.224g/mol
Monoisotopic Mass:
208.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
22.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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