ChemSpider 2D Image | (2Z)-2-(2-Bromo-4-fluorophenyl)-3-(4-methoxyphenyl)-3-(methylsulfanyl)acrylonitrile | C17H13BrFNOS

(2Z)-2-(2-Bromo-4-fluorophenyl)-3-(4-methoxyphenyl)-3-(methylsulfanyl)acrylonitrile

  • Molecular FormulaC17H13BrFNOS
  • Average mass378.259 Da
  • Monoisotopic mass376.988525 Da
  • ChemSpider ID30658990

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-(2-Brom-4-fluorphenyl)-3-(4-methoxyphenyl)-3-(methylsulfanyl)acrylonitril [German] [ACD/IUPAC Name]
(2Z)-2-(2-Bromo-4-fluorophenyl)-3-(4-methoxyphenyl)-3-(methylsulfanyl)acrylonitrile [ACD/IUPAC Name]
(2Z)-2-(2-Bromo-4-fluorophényl)-3-(4-méthoxyphényl)-3-(méthylsulfanyl)acrylonitrile [French] [ACD/IUPAC Name]
Benzeneacetonitrile, 2-bromo-4-fluoro-α-[(4-methoxyphenyl)(methylthio)methylene]-, (αZ)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 471.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 238.7±28.7 °C
Index of Refraction: 1.617
Molar Refractivity: 92.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 4438.11
ACD/KOC (pH 5.5): 14198.99
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4438.11
ACD/KOC (pH 7.4): 14198.99
Polar Surface Area: 58 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 264.1±3.0 cm3

Click to predict properties on the Chemicalize site


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