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Home > Nitro Compounds > 114567-96-3
114567-96-3 | 1,3,5-Triazine, 2,4,6-tris(2-nitrophenoxy)-
CAS No: 114567-96-3 Catalog No: AG000EPV MDL No:
Product Description
Catalog Number:
AG000EPV
Chemical Name:
1,3,5-Triazine, 2,4,6-tris(2-nitrophenoxy)-
CAS Number:
114567-96-3
Molecular Formula:
C21H12N6O9
Molecular Weight:
492.3548
IUPAC Name:
2,4,6-tris(2-nitrophenoxy)-1,3,5-triazine
InChI:
InChI=1S/C21H12N6O9/c28-25(29)13-7-1-4-10-16(13)34-19-22-20(35-17-11-5-2-8-14(17)26(30)31)24-21(23-19)36-18-12-6-3-9-15(18)27(32)33/h1-12H
InChI Key:
RDUMLIRCRULGLZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1Oc1nc(nc(n1)Oc1ccccc1[N+](=O)[O-])Oc1ccccc1[N+](=O)[O-]
Properties
Complexity:
663
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.067g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
492.36g/mol
Monoisotopic Mass:
492.067g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
204A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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