ChemSpider 2D Image | 3-(Difluoromethoxy)-4-(difluoromethyl)-5-nitrobenzenethiol | C8H5F4NO3S

3-(Difluoromethoxy)-4-(difluoromethyl)-5-nitrobenzenethiol

  • Molecular FormulaC8H5F4NO3S
  • Average mass271.189 Da
  • Monoisotopic mass270.992615 Da
  • ChemSpider ID111922853

More details:

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

3-(Difluormethoxy)-4-(difluormethyl)-5-nitrobenzolthiol [German] [ACD/IUPAC Name]
3-(Difluoromethoxy)-4-(difluoromethyl)-5-nitrobenzenethiol [ACD/IUPAC Name]
3-(Difluorométhoxy)-4-(difluorométhyl)-5-nitrobenzènethiol [French] [ACD/IUPAC Name]
Benzenethiol, 3-(difluoromethoxy)-4-(difluoromethyl)-5-nitro- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 380.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.4±3.0 kJ/mol
Flash Point: 183.7±27.9 °C
Index of Refraction: 1.512
Molar Refractivity: 53.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 1.88
ACD/KOC (pH 5.5): 18.42
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 94 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 177.1±3.0 cm3

Click to predict properties on the Chemicalize site


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