ChemSpider 2D Image | 4-[3-(2,5-Dichloro-4,6-dimethyl-1-oxido-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxy-6-nitrophenol | C16H12Cl2N4O6

4-[3-(2,5-Dichloro-4,6-dimethyl-1-oxido-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxy-6-nitrophenol

  • Molecular FormulaC16H12Cl2N4O6
  • Average mass427.196 Da
  • Monoisotopic mass426.013397 Da
  • ChemSpider ID58798492

More details:

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

1402714-41-3 [RN]
23697000 [Beilstein]
4-[3-(2,5-Dichlor-4,6-dimethyl-1-oxido-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxy-6-nitrophenol [German] [ACD/IUPAC Name]
4-[3-(2,5-Dichloro-4,6-dimethyl-1-oxido-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxy-6-nitrophenol [ACD/IUPAC Name]
4-[3-(2,5-Dichloro-4,6-diméthyl-1-oxydo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-méthoxy-6-nitrophénol [French] [ACD/IUPAC Name]
Phenol, 4-[3-(2,5-dichloro-4,6-dimethyl-1-oxido-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxy-6-nitro- [ACD/Index Name]
T6NJ AO B1 CG D1 FG E- ET5NO DNJ CR DQ CO1 ENW [WLN]
2,5-Dichloro-3-(5-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,2,4-oxadiazol-3-yl)-4,6-dimethylpyridine 1-oxide

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

Density: 1.7±0.1 g/cm3
Boiling Point: 682.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 366.8±34.3 °C
Index of Refraction: 1.695
Molar Refractivity: 97.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 16.37
ACD/KOC (pH 5.5): 159.84
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.06
Polar Surface Area: 140 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 62.0±7.0 dyne/cm
Molar Volume: 253.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement