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24486-64-4 | 1,3,5-Triazine, 2,4,6-tris(4-bromophenoxy)-
CAS No: 24486-64-4 Catalog No: AG002OAG MDL No:
Product Description
Catalog Number:
AG002OAG
Chemical Name:
1,3,5-Triazine, 2,4,6-tris(4-bromophenoxy)-
CAS Number:
24486-64-4
Molecular Formula:
C21H12Br3N3O3
Molecular Weight:
594.0503
IUPAC Name:
2,4,6-tris(4-bromophenoxy)-1,3,5-triazine
InChI:
InChI=1S/C21H12Br3N3O3/c22-13-1-7-16(8-2-13)28-19-25-20(29-17-9-3-14(23)4-10-17)27-21(26-19)30-18-11-5-15(24)6-12-18/h1-12H
InChI Key:
SEZRQZXAMYEBSC-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)Oc1nc(nc(n1)Oc1ccc(cc1)Br)Oc1ccc(cc1)Br
NSC Number:
90960
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
592.841g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
594.057g/mol
Monoisotopic Mass:
590.843g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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