chempirical

3-Fluoro-4-nitrobenzenesulfonyl chloride

C6H3ClFNO4SCAS 86156-93-6239.60 g/mol

Open in Covalent MOL file
SOOClFN+OO−
Aryl halideNitro

Properties

Molecular formula
C6H3ClFNO4S
Molar mass
239.60 g/mol
Exact mass
238.9455 Da
logP
1.66Crippen estimate
Polar surface area
77.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

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
86156-93-6
SMILES
C1=CC(=C(C=C1S(=O)(=O)Cl)F)[N+](=O)[O-]
InChIKey
AAWFUSFNPBRQDE-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClFNO4S/c7-14(12,13)4-1-2-6(9(10)11)5(8)3-4/h1-3H

Weigh it out

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Work with 3-Fluoro-4-nitrobenzenesulfonyl 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-Nitro-3-(trifluoromethyl)benzenesulfonyl chloride39234-83-864 % similar 4-Chloro-3-nitrobenzenesulfonyl chloride97-08-563 % similar 4-Methyl-3-nitrobenzenesulfonyl chloride616-83-161 % similar 3,4-Difluorobenzenesulfonyl chloride145758-05-058 % similar 4-Chloro-2-fluoro-1-nitrobenzene700-37-856 % similar 2,4-Difluoronitrobenzene446-35-555 % similar 4-Nitrobenzenesulfonyl chloride98-74-855 % similar 3-Nitrobenzenesulfonyl chloride121-51-754 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook