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Home > Nitro Compounds > 96550-09-3
96550-09-3 | 1,3,5-Triazine, 2,4,6-tris(4-nitro-3-pentadecylphenoxy)-
CAS No: 96550-09-3 Catalog No: AG005TV5 MDL No:
Product Description
Catalog Number:
AG005TV5
Chemical Name:
1,3,5-Triazine, 2,4,6-tris(4-nitro-3-pentadecylphenoxy)-
CAS Number:
96550-09-3
Molecular Formula:
C66H102N6O9
Molecular Weight:
1123.5509
IUPAC Name:
2,4,6-tris(4-nitro-3-pentadecylphenoxy)-1,3,5-triazine
InChI:
InChI=1S/C66H102N6O9/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-55-52-58(46-49-61(55)70(73)74)79-64-67-65(80-59-47-50-62(71(75)76)56(53-59)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)69-66(68-64)81-60-48-51-63(72(77)78)57(54-60)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h46-54H,4-45H2,1-3H3
InChI Key:
UDDZZCQVGDXBHD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCc1cc(ccc1[N+](=O)[O-])Oc1nc(Oc2ccc(c(c2)CCCCCCCCCCCCCCC)[N+](=O)[O-])nc(n1)Oc1ccc(c(c1)CCCCCCCCCCCCCCC)[N+](=O)[O-]
Properties
Complexity:
1360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1122.771g/mol
Formal Charge:
0
Heavy Atom Count:
81
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1123.575g/mol
Monoisotopic Mass:
1122.771g/mol
Rotatable Bond Count:
48
Topological Polar Surface Area:
204A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
28.6
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