ChemSpider 2D Image | 3-(4-Chloro-2-methyl-5-nitrophenoxy)-2-pyrazinecarbonitrile | C12H7ClN4O3

3-(4-Chloro-2-methyl-5-nitrophenoxy)-2-pyrazinecarbonitrile

  • Molecular FormulaC12H7ClN4O3
  • Average mass290.662 Da
  • Monoisotopic mass290.020660 Da
  • ChemSpider ID60545911

More details:

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

2-Pyrazinecarbonitrile, 3-(4-chloro-2-methyl-5-nitrophenoxy)- [ACD/Index Name]
3-(4-Chlor-2-methyl-5-nitrophenoxy)-2-pyrazincarbonitril [German] [ACD/IUPAC Name]
3-(4-Chloro-2-methyl-5-nitrophenoxy)-2-pyrazinecarbonitrile [ACD/IUPAC Name]
3-(4-Chloro-2-méthyl-5-nitrophénoxy)-2-pyrazinecarbonitrile [French] [ACD/IUPAC Name]
3-(4-CHLORO-2-METHYL-5-NITROPHENOXY)PYRAZINE-2-CARBONITRILE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 455.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 229.1±28.7 °C
Index of Refraction: 1.642
Molar Refractivity: 68.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.80
ACD/KOC (pH 5.5): 494.90
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 40.80
ACD/KOC (pH 7.4): 494.90
Polar Surface Area: 105 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 79.3±5.0 dyne/cm
Molar Volume: 190.7±5.0 cm3

Click to predict properties on the Chemicalize site


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