chempirical

2-Iodobenzenesulfonic acid

C6H5IO3SCAS 63059-25-6284.07 g/mol

Open in Covalent MOL file
SOOOHI
Aryl halideSulfonic 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
63059-25-6
SMILES
C1=CC=C(C(=C1)S(=O)(=O)O)I
InChIKey
ZJTNYBYLBTVLRD-UHFFFAOYSA-N
InChI
InChI=1S/C6H5IO3S/c7-5-3-1-2-4-6(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.

Work with 2-Iodobenzenesulfonic 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

Armstrong's acid81-04-954 % similar 2-Iodobenzene-1-sulfonyl chloride63059-29-053 % similar Orthanilic acid88-21-153 % similar Naphthalene-1-sulfonic acid85-47-252 % similar Xylenesulfonic acid25321-41-948 % similar Naphthalene-1,5-disulfonic acid tetrahydrate211366-30-248 % similar 2-Sulfobenzoic acid632-25-747 % similar Benzenesulfonic acid98-11-346 % similar

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

Same formula

4-Iodobenzenesulphonic acid13035-63-7

Elsewhere

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