ChemSpider 2D Image | (2E)-3-(3-Bromophenyl)-3-chloro-2-(3-pyridinyl)acrylonitrile | C14H8BrClN2

(2E)-3-(3-Bromophenyl)-3-chloro-2-(3-pyridinyl)acrylonitrile

  • Molecular FormulaC14H8BrClN2
  • Average mass319.584 Da
  • Monoisotopic mass317.955933 Da
  • ChemSpider ID35939833

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(3-Bromophenyl)-3-chloro-2-(3-pyridinyl)acrylonitrile [ACD/IUPAC Name]
(2E)-3-(3-Bromophényl)-3-chloro-2-(3-pyridinyl)acrylonitrile [French] [ACD/IUPAC Name]
(2E)-3-(3-Bromphenyl)-3-chlor-2-(3-pyridinyl)acrylonitril [German] [ACD/IUPAC Name]
3-Pyridineacetonitrile, α-[(3-bromophenyl)chloromethylene]-, (αE)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 422.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 209.0±28.7 °C
Index of Refraction: 1.645
Molar Refractivity: 76.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2560.97
ACD/KOC (pH 5.5): 9570.85
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2568.79
ACD/KOC (pH 7.4): 9600.07
Polar Surface Area: 37 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 210.0±3.0 cm3

Click to predict properties on the Chemicalize site


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