[Hydroxy(tosyloxy)iodo]benzene

C₁₃H₁₃IO₄SCAS 27126-76-7392.21 g/mol

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Alcohol Halogen Sulfone

Properties

Molecular formula: C₁₃H₁₃IO₄S
Molar mass: 392.21 g/mol
Exact mass: 391.9579 Da
Melting point: 134–136 °C
logP: 2.90Crippen estimate
Polar surface area: 63.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4

Identifiers

CAS number

27126-76-7

SMILES

Cc1ccc(S(=O)(=O)OI(O)c2ccccc2)cc1

InChIKey

LRIUKPUCKCECPT-UHFFFAOYSA-N

InChI

InChI=1S/C13H13IO4S/c1-11-7-9-13(10-8-11)19(16,17)18-14(15)12-5-3-2-4-6-12/h2-10,15H,1H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all

Iodine, hydroxy(4-methylbenzenesulfonato-κO)phenyl-
Benzene, [hydroxy[(p-tolylsulfonyl)oxy]iodo]-
Iodine, hydroxy(4-methylbenzenesulfonato-O)phenyl-
Benzenesulfonic acid, 4-methyl-, iodine complex
Hydroxy(4-methylbenzenesulfonato-κO)phenyliodine
Phenyliodoso hydroxide tosylate
Hydroxy(4-methylbenzenesulfonato-O)phenyliodine
Phenyliodosyl hydroxide tosylate
HTIB
Koser's reagent
[Hydroxy(4-toluenesulfonato)iodo]benzene
Reagents, koser's
Hydroxy(phenyl)iodo tosylate
NSC 294176

Work with [Hydroxy(tosyloxy)iodo]benzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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