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Home > Nitro Compounds > 140218-59-3
140218-59-3 | 1,3,5-Triazine, 2,4,6-trinitro-
CAS No: 140218-59-3 Catalog No: AG001C5K MDL No:
Product Description
Catalog Number:
AG001C5K
Chemical Name:
1,3,5-Triazine, 2,4,6-trinitro-
CAS Number:
140218-59-3
Molecular Formula:
C3N6O6
Molecular Weight:
216.0687
IUPAC Name:
2,4,6-trinitro-1,3,5-triazine
InChI:
InChI=1S/C3N6O6/c10-7(11)1-4-2(8(12)13)6-3(5-1)9(14)15
InChI Key:
NPNRPQIHDJKWMW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nc(nc(n1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.988g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.069g/mol
Monoisotopic Mass:
215.988g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| An important factor in relation to shock-induced chemistry: resonance energy. | Journal of molecular modeling 20120201 |
| Theoretical studies on the formation mechanism and explosive performance of nitro-substituted 1,3,5-triazines. | Journal of computational chemistry 20101001 |
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