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1745-83-1 | 3H-2,1-Benzoxathiol-3-one, 4,5,6,7-tetraiodo-, 1,1-dioxide
CAS No: 1745-83-1 Catalog No: AG001ZQD MDL No:MFCD00059713
Product Description
Catalog Number:
AG001ZQD
Chemical Name:
3H-2,1-Benzoxathiol-3-one, 4,5,6,7-tetraiodo-, 1,1-dioxide
CAS Number:
1745-83-1
Molecular Formula:
C7I4O4S
Molecular Weight:
687.7554
MDL Number:
MFCD00059713
IUPAC Name:
4,5,6,7-tetraiodo-1,1-dioxo-2,1λ6-benzoxathiol-3-one
InChI:
InChI=1S/C7I4O4S/c8-2-1-6(5(11)4(10)3(2)9)16(13,14)15-7(1)12
InChI Key:
UQDQTEHMZFWZSX-UHFFFAOYSA-N
SMILES:
Ic1c(I)c2C(=O)OS(=O)(=O)c2c(c1I)I
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
687.57g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
687.751g/mol
Monoisotopic Mass:
687.57g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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