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

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

  • Molecular FormulaC8H5F4NO3S
  • Average mass271.189 Da
  • Monoisotopic mass270.992615 Da
  • ChemSpider ID111924869

More details:

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

4-(Difluormethoxy)-3-(difluormethyl)-5-nitrobenzolthiol [German] [ACD/IUPAC Name]
4-(Difluoromethoxy)-3-(difluoromethyl)-5-nitrobenzenethiol [ACD/IUPAC Name]
4-(Difluorométhoxy)-3-(difluorométhyl)-5-nitrobenzènethiol [French] [ACD/IUPAC Name]
Benzenethiol, 4-(difluoromethoxy)-3-(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: 339.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.0±3.0 kJ/mol
Flash Point: 159.2±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: 2.81
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 2.94
ACD/KOC (pH 5.5): 32.38
ACD/LogD (pH 7.4): -0.24
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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