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20951-03-5 | Phenol, 2,6-diiodo-4-(methylsulfonyl)-
CAS No: 20951-03-5 Catalog No: AG002KAF MDL No:
Product Description
Catalog Number:
AG002KAF
Chemical Name:
Phenol, 2,6-diiodo-4-(methylsulfonyl)-
CAS Number:
20951-03-5
Molecular Formula:
C7H6I2O3S
Molecular Weight:
423.9947
IUPAC Name:
2,6-diiodo-4-methylsulfonylphenol
InChI:
InChI=1S/C7H6I2O3S/c1-13(11,12)4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3
InChI Key:
FTIFVUFZYLYABI-UHFFFAOYSA-N
SMILES:
Oc1c(I)cc(cc1I)S(=O)(=O)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.813g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
423.991g/mol
Monoisotopic Mass:
423.813g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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