Found 3 results

Search term: BSMKYQUHXQAVKG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-Nitro-2-[(~2~H_7_)-2-propanyl]benzene | C9H4D7NO2

1-Nitro-2-[(2H7)-2-propanyl]benzene

  • Molecular FormulaC9H4D7NO2
  • Average mass172.232 Da
  • Monoisotopic mass172.122910 Da
  • ChemSpider ID8877683

  • Non-standard isotope - Non-standard isotope

More details:

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

1-Nitro-2-[(2H7)-2-propanyl]benzene [ACD/IUPAC Name]
1-Nitro-2-[(2H7)-2-propanyl]benzène [French] [ACD/IUPAC Name]
1-Nitro-2-[(2H7)-2-propanyl]benzol [German] [ACD/IUPAC Name]
Benzene, 1-[1-(methyl-d3)ethyl-1,2,2,2-d4]-2-nitro- [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: 256.4±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.4±3.0 kJ/mol
Flash Point: 108.5±11.5 °C
Index of Refraction: 1.533
Molar Refractivity: 47.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 188.79
ACD/KOC (pH 5.5): 1481.66
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 188.79
ACD/KOC (pH 7.4): 1481.66
Polar Surface Area: 46 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 151.3±3.0 cm3

Click to predict properties on the Chemicalize site


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