chempirical

4'-Fluoro[1,1'-biphenyl]-4-sulfonyl chloride

C12H8ClFO2SCAS 116748-66-4270.70 g/mol

Open in Covalent MOL file
SOOClF
Aryl halide

Properties

Molecular formula
C12H8ClFO2S
Molar mass
270.70 g/mol
Exact mass
269.9918 Da
logP
3.42Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
116748-66-4
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)Cl)F
InChIKey
CIDMHDJTWVMBIF-UHFFFAOYSA-N
InChI
InChI=1S/C12H8ClFO2S/c13-17(15,16)12-7-3-10(4-8-12)9-1-5-11(14)6-2-9/h1-8H

Weigh it out

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

Names and synonyms

1 names
  • 4'-Fluorobiphenyl-4-sulfonyl chloride

Work with 4'-Fluoro[1,1'-biphenyl]-4-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

4-Fluorobenzenesulfonyl chloride349-88-288 % similar [1,1′-Biphenyl]-4,4′-disulfonyl dichloride3406-84-675 % similar [1,1′-Biphenyl]-4-sulfonyl chloride1623-93-464 % similar 4′-Chloro[1,1′-biphenyl]-4-sulfonyl chloride20443-74-762 % similar 3,5-Difluorobenzenesulfonyl chloride210532-25-555 % similar 4-Chlorobenzenesulfonyl chloride98-60-252 % similar 4,4′-Oxybis[benzenesulfonyl chloride]121-63-150 % similar 4-(Trifluoromethyl)benzenesulfonyl chloride2991-42-650 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook