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105942-20-9 | 1,3,2,4,6,5-Diiodatrioxathiane, 1,3-diphenyl-, 5,5-dioxide
CAS No: 105942-20-9 Catalog No: AG007EKH MDL No:
Product Description
Catalog Number:
AG007EKH
Chemical Name:
1,3,2,4,6,5-Diiodatrioxathiane, 1,3-diphenyl-, 5,5-dioxide
CAS Number:
105942-20-9
Molecular Formula:
C12H10I2O5S
Molecular Weight:
520.0787
IUPAC Name:
1,3-diphenyl-1λ3,3λ3,2,4,6,5-diiodatrioxathiane 5,5-dioxide
InChI:
InChI=1S/C12H10I2O5S/c15-20(16)18-13(11-7-3-1-4-8-11)17-14(19-20)12-9-5-2-6-10-12/h1-10H
InChI Key:
HRPIVUQOZUCFEP-UHFFFAOYSA-N
SMILES:
O=S1(=O)O[I](O[I](O1)c1ccccc1)c1ccccc1
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
519.834g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
520.076g/mol
Monoisotopic Mass:
519.834g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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