ChemSpider 2D Image | [(1E)-2-Nitro(1-~2~H)-1-propen-1-yl](~2~H_5_)benzene | C9H3D6NO2

[(1E)-2-Nitro(1-2H)-1-propen-1-yl](2H5)benzene

  • Molecular FormulaC9H3D6NO2
  • Average mass169.210 Da
  • Monoisotopic mass169.100983 Da
  • ChemSpider ID10541096

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

[(1E)-2-Nitro(1-2H)-1-propen-1-yl](2H5)benzene [ACD/IUPAC Name]
[(1E)-2-Nitro(1-2H)-1-propén-1-yl](2H5)benzène [French] [ACD/IUPAC Name]
[(1E)-2-Nitro(1-2H)-1-propen-1-yl](2H5)benzol [German] [ACD/IUPAC Name]
Benzene-1,2,3,4,5-d5, 6-[(1E)-2-nitro-1-propen-1-yl-1-d]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 263.0±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.1±3.0 kJ/mol
Flash Point: 115.7±11.5 °C
Index of Refraction: 1.586
Molar Refractivity: 48.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.66
ACD/KOC (pH 5.5): 476.21
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.66
ACD/KOC (pH 7.4): 476.21
Polar Surface Area: 46 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 143.0±3.0 cm3

Click to predict properties on the Chemicalize site


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