1-Octanesulfonyl chloride

C₈H₁₇ClO₂SCAS 7795-95-1212.73 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₇ClO₂S
Molar mass: 212.73 g/mol
Exact mass: 212.0638 Da
Boiling point: 110–111 °C (at 4 Torr)
logP: 2.92Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 7

Identifiers

CAS number

7795-95-1

SMILES

CCCCCCCCS(=O)(=O)Cl

InChIKey

WIVNTNLDTMNDNO-UHFFFAOYSA-N

InChI

InChI=1S/C8H17ClO2S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3

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

Names and synonyms

3 names

Octanesulfonyl chloride
n-Octanesulfonyl chloride
Octylsulfonyl chloride

Work with 1-Octanesulfonyl 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

Elsewhere

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