chempirical

2-Iodobenzene-1-sulfonyl chloride

C6H4ClIO2SCAS 63059-29-0302.51 g/mol

Open in Covalent MOL file
SOOClI
Aryl halide

Properties

Molecular formula
C6H4ClIO2S
Molar mass
302.51 g/mol
Exact mass
301.8665 Da
logP
2.22Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 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
63059-29-0
SMILES
C1=CC=C(C(=C1)S(=O)(=O)Cl)I
InChIKey
ZPNWNLNPDRYULE-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClIO2S/c7-11(9,10)6-4-2-1-3-5(6)8/h1-4H

Weigh it out

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

Work with 2-Iodobenzene-1-sulfonyl chloride

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

1,2-Benzenedisulfonyl dichloride6461-76-367 % similar 2-Methylbenzenesulfonyl chloride133-59-559 % similar 2-Chlorobenzenesulfonyl chloride2905-23-955 % similar 2-Bromobenzenesulphonyl chloride2905-25-155 % similar 1,5-Naphthalenedisulfonyl chloride1928-01-454 % similar 2-Fluorobenzenesulfonyl chloride2905-21-753 % similar 2-Iodobenzenesulfonic acid63059-25-653 % similar 1-Naphthalenesulfonyl chloride85-46-152 % similar

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

Same formula

4-Iodobenzenesulfonyl chloride98-61-3

Elsewhere

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