ChemSpider 2D Image | (2E)-[(2-Fluorophenyl)sulfonyl](2-piperidinylidene)acetonitrile | C13H13FN2O2S

(2E)-[(2-Fluorophenyl)sulfonyl](2-piperidinylidene)acetonitrile

  • Molecular FormulaC13H13FN2O2S
  • Average mass280.318 Da
  • Monoisotopic mass280.068176 Da
  • ChemSpider ID34499070

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-[(2-Fluorophenyl)sulfonyl](2-piperidinylidene)acetonitrile [ACD/IUPAC Name]
(2E)-[(2-Fluorophényl)sulfonyl](2-pipéridinylidène)acétonitrile [French] [ACD/IUPAC Name]
(2E)-[(2-Fluorphenyl)sulfonyl](2-piperidinyliden)acetonitril [German] [ACD/IUPAC Name]
Acetonitrile, 2-[(2-fluorophenyl)sulfonyl]-2-(2-piperidinylidene)-, (2E)- [ACD/Index Name]
(2E)-[(2-fluorophenyl)sulfonyl](piperidin-2-ylidene)acetonitrile
[1454881-43-6] [RN]
1454881-43-6 [RN]
2-((2-Fluorophenyl)sulfonyl)-2-(piperidin-2-ylidene)acetonitrile
2-(2-fluorobenzenesulfonyl)-2-[(2E)-piperidin-2-ylidene]acetonitrile
BS-5085
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 468.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 237.0±28.7 °C
Index of Refraction: 1.567
Molar Refractivity: 69.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.91
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 9.53
ACD/KOC (pH 5.5): 174.84
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 9.53
ACD/KOC (pH 7.4): 174.84
Polar Surface Area: 78 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 211.6±3.0 cm3

Click to predict properties on the Chemicalize site


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