chempirical

3-Fluorobenzenesulfonyl chloride

C6H4ClFO2SCAS 701-27-9194.60 g/mol

Open in Covalent MOL file
SOOClF
Aryl halide

Properties

Molecular formula
C6H4ClFO2S
Molar mass
194.60 g/mol
Exact mass
193.9605 Da
logP
1.75Crippen 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
701-27-9
SMILES
C1=CC(=CC(=C1)S(=O)(=O)Cl)F
InChIKey
OKYSUJVCDXZGKE-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClFO2S/c7-11(9,10)6-3-1-2-5(8)4-6/h1-4H

Weigh it out

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

Work with 3-Fluorobenzenesulfonyl 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

1,3-Benzenedisulfonyl dichloride585-47-772 % similar 3,5-Difluorobenzenesulfonyl chloride210532-25-567 % similar 3-Chlorobenzenesulfonyl chloride2888-06-462 % similar M-Toluenesulfonyl chloride1899-93-058 % similar 3-Bromobenzenesulfonyl chloride2905-24-058 % similar m-Trifluoromethylbenzenesulfonyl chloride777-44-658 % similar 3-(Methylsulfonyl)benzenesulfonyl chloride5335-40-056 % similar Benzenesulfonyl chloride98-09-956 % similar

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

Same formula

2-Fluorobenzenesulfonyl chloride2905-21-7 4-Fluorobenzenesulfonyl chloride349-88-2

Elsewhere

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