ChemSpider 2D Image | (1S,6S,7R)-Bicyclo[4.2.0]oct-7-ylmethanesulfonyl chloride | C9H15ClO2S

(1S,6S,7R)-Bicyclo[4.2.0]oct-7-ylmethanesulfonyl chloride

  • Molecular FormulaC9H15ClO2S
  • Average mass222.732 Da
  • Monoisotopic mass222.048126 Da
  • ChemSpider ID65014849

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S,6S,7R)-Bicyclo[4.2.0]oct-7-ylmethanesulfonyl chloride [ACD/IUPAC Name]
(1S,6S,7R)-Bicyclo[4.2.0]oct-7-ylmethansulfonylchlorid [German] [ACD/IUPAC Name]
Bicyclo[4.2.0]octane-7-methanesulfonyl chloride, (1S,6S,7R)- [ACD/Index Name]
Chlorure de (1S,6S,7R)-bicyclo[4.2.0]oct-7-ylméthanesulfonyle [French] [ACD/IUPAC Name]
2138010-79-2 [RN]
rac-[(1R,6R,7S)-bicyclo[4.2.0]octan-7-yl]methanesulfonyl chloride

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 317.0±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 53.6±3.0 kJ/mol
Flash Point: 145.5±19.3 °C
Index of Refraction: 1.515
Molar Refractivity: 53.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 133.88
ACD/KOC (pH 5.5): 1158.53
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 133.88
ACD/KOC (pH 7.4): 1158.53
Polar Surface Area: 43 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 176.4±3.0 cm3

Click to predict properties on the Chemicalize site


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