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Home > Nitro Compounds > 13960-34-4
13960-34-4 | 1,3,5-Triazine, 2,4,6-tris(4-nitrophenyl)-
CAS No: 13960-34-4 Catalog No: AG001BD8 MDL No:
Product Description
Catalog Number:
AG001BD8
Chemical Name:
1,3,5-Triazine, 2,4,6-tris(4-nitrophenyl)-
CAS Number:
13960-34-4
Molecular Formula:
C21H12N6O6
Molecular Weight:
444.3566
IUPAC Name:
2,4,6-tris(4-nitrophenyl)-1,3,5-triazine
InChI:
InChI=1S/C21H12N6O6/c28-25(29)16-7-1-13(2-8-16)19-22-20(14-3-9-17(10-4-14)26(30)31)24-21(23-19)15-5-11-18(12-6-15)27(32)33/h1-12H
InChI Key:
NCJIBBAKIPAWMQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1nc(nc(n1)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.082g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
444.363g/mol
Monoisotopic Mass:
444.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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