4-Bromo-3,5-difluorobenzenesulfonyl chloride

C₆H₂BrClF₂O₂SCAS 518057-63-1291.49 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₂BrClF₂O₂S
Molar mass: 291.49 g/mol
Exact mass: 289.8615 Da
logP: 2.65Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

518057-63-1

SMILES

O=S(=O)(Cl)c1cc(F)c(Br)c(F)c1

InChIKey

QCESOQYTNNRNNY-UHFFFAOYSA-N

InChI

InChI=1S/C6H2BrClF2O2S/c7-6-4(9)1-3(2-5(6)10)13(8,11)12/h1-2H

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

Names and synonyms

2 names

Benzenesulfonyl chloride, 4-bromo-3,5-difluoro-
4-Bromo-3,5-difluorobenzene-1-sulfonyl chloride

Work with 4-Bromo-3,5-difluorobenzenesulfonyl 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

4-Bromo-3-fluorobenzenesulfonyl chloride351003-51-561 % similar 3,5-Difluorobenzenesulfonyl chloride210532-25-553 % similar 3,5-Dimethylbenzenesulfonyl chloride2905-27-348 % similar 1,4-Dibromo-3,5-difluorobenzene128259-71-245 % similar 2-Bromo-1,3,5-trifluorobenzene2367-76-245 % similar 3,5-Bis(trifluoromethyl)benzenesulfonyl chloride39234-86-144 % similar 4-Fluorobenzenesulfonyl chloride349-88-244 % similar 4-Bromobenzenesulfonyl chloride98-58-844 % similar

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

Same formula

4-Bromo-2,5-difluorobenzenesulfonyl chloride207974-14-9

Elsewhere

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