4-Iodobenzenesulphonic acid

C₆H₅IO₃SCAS 13035-63-7284.07 g/mol

Open in Covalent MOL file

Aryl halide Sulfonic acid

Properties

Molecular formula: C₆H₅IO₃S
Molar mass: 284.07 g/mol
Exact mass: 283.9004 Da
logP: 1.54Crippen estimate
Polar surface area: 54.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

13035-63-7

SMILES

C1=CC(=CC=C1S(=O)(=O)O)I

InChIKey

UBRJOJKCAVYQSH-UHFFFAOYSA-N

InChI

InChI=1S/C6H5IO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10)

Weigh it out

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

Names and synonyms

1 names

4-Iodobenzenesulfonic Acid

Work with 4-Iodobenzenesulphonic acid

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

Similar compounds

[1,1′-Biphenyl]-4,4′-disulfonic acid5314-37-463 % similar 4-Hydroxybenzenesulfonic acid98-67-958 % similar Benzenesulfonic acid98-11-356 % similar P-Toluenesulfonic acid104-15-456 % similar Sulfanilic acid121-57-356 % similar 4-Fluorobenzenesulfonic acid368-88-756 % similar 4-Chlorobenzenesulfonic acid98-66-856 % similar [1,1′-Biphenyl]-4-sulfonic acid2113-68-054 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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