Saflufenacil C17H17ClF4N4O5S structure

C17H17ClF4N4O5S structure
Molecular Formula C17H17ClF4N4O5S
Average mass 500.852 Da
Density 1.5±0.1 g/cm3
Boiling Point
Flash Point
Molar Refractivity 105.1±0.4 cm3
Polarizability 41.7±0.5 10-24cm3
Surface Tension 50.4±3.0 dyne/cm
Molar Volume 324.8±3.0 cm3

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.560
Molar Refractivity: 105.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.81
ACD/LogD (pH 7.4): -0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.71
Polar Surface Area: 115 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 324.8±3.0 cm3

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