ChemSpider 2D Image | 3-Amino-5-iodo-4-(6-oxa-2-thiaspiro[4.5]dec-9-yloxy)benzonitrile | C15H17IN2O2S

3-Amino-5-iodo-4-(6-oxa-2-thiaspiro[4.5]dec-9-yloxy)benzonitrile

  • Molecular FormulaC15H17IN2O2S
  • Average mass416.277 Da
  • Monoisotopic mass416.005524 Da
  • ChemSpider ID35699506

More details:

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

3-Amino-5-iod-4-(6-oxa-2-thiaspiro[4.5]dec-9-yloxy)benzonitril [German] [ACD/IUPAC Name]
3-Amino-5-iodo-4-(6-oxa-2-thiaspiro[4.5]dec-9-yloxy)benzonitrile [ACD/IUPAC Name]
3-Amino-5-iodo-4-(6-oxa-2-thiaspiro[4.5]déc-9-yloxy)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-amino-5-iodo-4-(6-oxa-2-thiaspiro[4.5]dec-9-yloxy)- [ACD/Index 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: 584.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 307.2±30.1 °C
Index of Refraction: 1.683
Molar Refractivity: 92.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 978.87
ACD/KOC (pH 5.5): 4811.96
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 979.17
ACD/KOC (pH 7.4): 4813.45
Polar Surface Area: 94 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 69.1±5.0 dyne/cm
Molar Volume: 243.5±5.0 cm3

Click to predict properties on the Chemicalize site


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