chempirical

2,3,4,5,6-Pentafluorobenzenesulfonyl chloride

C6ClF5O2SCAS 832-53-1266.57 g/mol

Open in Covalent MOL file
OSOClFFFFF
Aryl halide

Properties

Molecular formula
C6ClF5O2S
Molar mass
266.57 g/mol
Exact mass
265.9228 Da
Boiling point
210.5 °C
logP
2.31Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
832-53-1
SMILES
O=S(=O)(Cl)c1c(F)c(F)c(F)c(F)c1F
InChIKey
UOJCTEGNHXRPKO-UHFFFAOYSA-N
InChI
InChI=1S/C6ClF5O2S/c7-15(13,14)6-4(11)2(9)1(8)3(10)5(6)12

Weigh it out

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

Names and synonyms

9 names
  • Benzenesulfonyl chloride, 2,3,4,5,6-pentafluoro-
  • Benzenesulfonyl chloride, pentafluoro-
  • Pentafluorobenzenesulfonyl chloride
  • Pentafluorophenylsulfonyl chloride
  • NSC 96998
  • Pentafluororbenzenesulfonyl chloride
  • 2,3,4,5,6-Pentafluorobenzene-1-sulfonyl chloride
  • Perfluorobenzenesulfonyl chloride
  • 2,3,4,5,6-Pentafluorophenylsulfonyl chloride

Work with 2,3,4,5,6-Pentafluorobenzenesulfonyl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Difluorobenzenesulfonyl chloride60230-36-648 % similar Pentamethylbenzenesulfonyl chloride52499-94-244 % similar 2,3,4-Trifluorobenzenesulfonyl chloride175278-08-743 % similar 3-Chloro-2-fluorobenzenesulfonyl chloride351003-48-042 % similar 3,5-Difluorobenzenesulfonyl chloride210532-25-539 % similar 4-Fluorobenzenesulfonyl chloride349-88-239 % similar 4-Bromo-3,5-difluorobenzenesulfonyl chloride518057-63-139 % similar 2,3,5,6-Tetramethylbenzenesulfonyl chloride60706-63-037 % similar

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

Elsewhere

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