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Home > Nitro Compounds > 89367-93-1
89367-93-1 | 1,3,5-Triazine, 2,4-bis(3-nitrophenoxy)-6-phenyl-
CAS No: 89367-93-1 Catalog No: AG003X4O MDL No:
Product Description
Catalog Number:
AG003X4O
Chemical Name:
1,3,5-Triazine, 2,4-bis(3-nitrophenoxy)-6-phenyl-
CAS Number:
89367-93-1
Molecular Formula:
C21H13N5O6
Molecular Weight:
431.3578
IUPAC Name:
2,4-bis(3-nitrophenoxy)-6-phenyl-1,3,5-triazine
InChI:
InChI=1S/C21H13N5O6/c27-25(28)15-8-4-10-17(12-15)31-20-22-19(14-6-2-1-3-7-14)23-21(24-20)32-18-11-5-9-16(13-18)26(29)30/h1-13H
InChI Key:
ZHILDLXFRVYTCG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)Oc1nc(Oc2cccc(c2)[N+](=O)[O-])nc(n1)c1ccccc1
Properties
Complexity:
593
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.087g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
431.364g/mol
Monoisotopic Mass:
431.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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