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25940-66-3 | 1,3,5-Triazine, 2,4,6-tris(4-phenoxyphenoxy)-
CAS No: 25940-66-3 Catalog No: AG002R5I MDL No:
Product Description
Catalog Number:
AG002R5I
Chemical Name:
1,3,5-Triazine, 2,4,6-tris(4-phenoxyphenoxy)-
CAS Number:
25940-66-3
Molecular Formula:
C39H27N3O6
Molecular Weight:
633.6482
IUPAC Name:
2,4,6-tris(4-phenoxyphenoxy)-1,3,5-triazine
InChI:
InChI=1S/C39H27N3O6/c1-4-10-28(11-5-1)43-31-16-22-34(23-17-31)46-37-40-38(47-35-24-18-32(19-25-35)44-29-12-6-2-7-13-29)42-39(41-37)48-36-26-20-33(21-27-36)45-30-14-8-3-9-15-30/h1-27H
InChI Key:
UHEPGMCBXYKBFB-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Oc1ccc(cc1)Oc1nc(nc(n1)Oc1ccc(cc1)Oc1ccccc1)Oc1ccc(cc1)Oc1ccccc1
NSC Number:
90957
Properties
Complexity:
762
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
633.19g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
633.66g/mol
Monoisotopic Mass:
633.19g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.1
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