ChemSpider 2D Image | 1-[1-(3-Chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[4-(methylsulfonyl)phenoxy]ethanone | C21H19ClFNO4S

1-[1-(3-Chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[4-(methylsulfonyl)phenoxy]ethanone

  • Molecular FormulaC21H19ClFNO4S
  • Average mass435.896 Da
  • Monoisotopic mass435.070740 Da
  • ChemSpider ID30557694

More details:

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

1-[1-(3-Chlor-4-fluorphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[4-(methylsulfonyl)phenoxy]ethanon [German] [ACD/IUPAC Name]
1-[1-(3-Chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[4-(methylsulfonyl)phenoxy]ethanone [ACD/IUPAC Name]
1-[1-(3-Chloro-4-fluorophényl)-2,5-diméthyl-1H-pyrrol-3-yl]-2-[4-(méthylsulfonyl)phénoxy]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[4-(methylsulfonyl)phenoxy]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 643.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 343.0±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 111.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 688.34
ACD/KOC (pH 5.5): 3740.27
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 688.34
ACD/KOC (pH 7.4): 3740.27
Polar Surface Area: 74 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 43.8±7.0 dyne/cm
Molar Volume: 329.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement