ChemSpider 2D Image | N-[1-(4-Bromophenyl)-1-cyanoethyl]-3,4-difluorobenzamide | C16H11BrF2N2O

N-[1-(4-Bromophenyl)-1-cyanoethyl]-3,4-difluorobenzamide

  • Molecular FormulaC16H11BrF2N2O
  • Average mass365.172 Da
  • Monoisotopic mass364.002289 Da
  • ChemSpider ID65943422

More details:

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

Benzamide, N-[1-(4-bromophenyl)-1-cyanoethyl]-3,4-difluoro- [ACD/Index Name]
N-[1-(4-Bromophenyl)-1-cyanoethyl]-3,4-difluorobenzamide [ACD/IUPAC Name]
N-[1-(4-Bromophényl)-1-cyanoéthyl]-3,4-difluorobenzamide [French] [ACD/IUPAC Name]
N-[1-(4-Bromphenyl)-1-cyanethyl]-3,4-difluorbenzamid [German] [ACD/IUPAC 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: 477.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 242.8±28.7 °C
Index of Refraction: 1.581
Molar Refractivity: 80.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1201.27
ACD/KOC (pH 5.5): 5571.72
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1188.60
ACD/KOC (pH 7.4): 5512.97
Polar Surface Area: 53 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 242.3±3.0 cm3

Click to predict properties on the Chemicalize site


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