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89046-98-0 | Seleninium, 2,4,6-tris(4-methoxyphenyl)-, perchlorate
CAS No: 89046-98-0 Catalog No: AG004322 MDL No:
Product Description
Catalog Number:
AG004322
Chemical Name:
Seleninium, 2,4,6-tris(4-methoxyphenyl)-, perchlorate
CAS Number:
89046-98-0
Molecular Formula:
C26H23ClO7Se
Molecular Weight:
561.8696
IUPAC Name:
2,4,6-tris(4-methoxyphenyl)selenopyran-1-ium;perchlorate
InChI:
InChI=1S/C26H23O3Se.ClHO4/c1-27-22-10-4-18(5-11-22)21-16-25(19-6-12-23(28-2)13-7-19)30-26(17-21)20-8-14-24(29-3)15-9-20;2-1(3,4)5/h4-17H,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
XQBXAMPBONZQNK-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.COc1ccc(cc1)C1=CC(=[Se+]C(=C1)c1ccc(cc1)OC)c1ccc(cc1)OC
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
562.03g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
561.884g/mol
Monoisotopic Mass:
562.03g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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