Molecular FormulaC7H6INO2 median mass263.033 Da Monoisotopic mass262.944305 Da ID8738865

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CSID:8738865, (accessed 20:38, Sep 22, 2021) CopyCopied

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Density: 2.0±0.1 g/cm3
Boiling Point: 345.9±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg in ~ 25°C
Enthalpy of Vaporization: 61.3±3.0 kJ/mol
Flash Point: 163.0±26.5 °C
Index that Refraction: 1.705
Molar Refractivity: 50.0±0.3 cm3
#H bond acceptors: 3
#H link donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0

ACD/LogP: 3.04
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 61.26
ACD/KOC (pH 5.5): 660.60
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 38.60
ACD/KOC (pH 7.4): 416.25
Polar surface Area: 63 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 70.2±3.0 dyne/cm
Molar Volume: 128.6±3.0 cm3

Predicted data is produced using the US ecological Protection Agency’s EPISuite™

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