ChemSpider 2D Image | (2Z)-2-(2-Bromo-4,5-dimethoxyphenyl)-3-(methylsulfanyl)-3-phenylacrylonitrile | C18H16BrNO2S

(2Z)-2-(2-Bromo-4,5-dimethoxyphenyl)-3-(methylsulfanyl)-3-phenylacrylonitrile

  • Molecular FormulaC18H16BrNO2S
  • Average mass390.294 Da
  • Monoisotopic mass389.008514 Da
  • ChemSpider ID30658989

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-(2-Brom-4,5-dimethoxyphenyl)-3-(methylsulfanyl)-3-phenylacrylonitril [German] [ACD/IUPAC Name]
(2Z)-2-(2-Bromo-4,5-dimethoxyphenyl)-3-(methylsulfanyl)-3-phenylacrylonitrile [ACD/IUPAC Name]
(2Z)-2-(2-Bromo-4,5-diméthoxyphényl)-3-(méthylsulfanyl)-3-phénylacrylonitrile [French] [ACD/IUPAC Name]
Benzeneacetonitrile, 2-bromo-4,5-dimethoxy-α-[(methylthio)phenylmethylene]-, (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: 492.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 251.6±28.7 °C
Index of Refraction: 1.616
Molar Refractivity: 99.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2454.07
ACD/KOC (pH 5.5): 9291.32
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2454.07
ACD/KOC (pH 7.4): 9291.32
Polar Surface Area: 68 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 283.9±3.0 cm3

Click to predict properties on the Chemicalize site


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