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114567-97-4 | 1,3,5-Triazine, 2,4,6-tris(2,4-dibromophenoxy)-
CAS No: 114567-97-4 Catalog No: AG000EPU MDL No:
Product Description
Catalog Number:
AG000EPU
Chemical Name:
1,3,5-Triazine, 2,4,6-tris(2,4-dibromophenoxy)-
CAS Number:
114567-97-4
Molecular Formula:
C21H9Br6N3O3
Molecular Weight:
830.7385
IUPAC Name:
2,4,6-tris(2,4-dibromophenoxy)-1,3,5-triazine
InChI:
InChI=1S/C21H9Br6N3O3/c22-10-1-4-16(13(25)7-10)31-19-28-20(32-17-5-2-11(23)8-14(17)26)30-21(29-19)33-18-6-3-12(24)9-15(18)27/h1-9H
InChI Key:
AFHNBAZUTVZKIY-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)Br)Oc1nc(nc(n1)Oc1ccc(cc1Br)Br)Oc1ccc(cc1Br)Br
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
830.568g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
830.745g/mol
Monoisotopic Mass:
824.574g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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