ChemSpider 2D Image | 4-{4-[Bis(2-chloroethyl)amino]-2-iodophenyl}-1-butene-1,1-diol | C14H18Cl2INO2

4-{4-[Bis(2-chloroethyl)amino]-2-iodophenyl}-1-butene-1,1-diol

  • Molecular FormulaC14H18Cl2INO2
  • Average mass430.109 Da
  • Monoisotopic mass428.975922 Da
  • ChemSpider ID95762016

More details:

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

1-Butene-1,1-diol, 4-[4-[bis(2-chloroethyl)amino]-2-iodophenyl]- [ACD/Index Name]
4-{4-[Bis(2-chlorethyl)amino]-2-iodphenyl}-1-buten-1,1-diol [German] [ACD/IUPAC Name]
4-{4-[Bis(2-chloroethyl)amino]-2-iodophenyl}-1-butene-1,1-diol [ACD/IUPAC Name]
4-{4-[Bis(2-chloroéthyl)amino]-2-iodophényl}-1-butène-1,1-diol [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 578.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 303.4±30.1 °C
Index of Refraction: 1.646
Molar Refractivity: 94.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 388.66
ACD/KOC (pH 5.5): 2476.54
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 391.83
ACD/KOC (pH 7.4): 2496.70
Polar Surface Area: 44 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 259.5±3.0 cm3

Click to predict properties on the Chemicalize site


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