ChemSpider 2D Image | 4-{[(1R,2R)-2-Hydroxycyclopentyl]oxy}-3-iodo-5-nitrobenzonitrile | C12H11IN2O4

4-{[(1R,2R)-2-Hydroxycyclopentyl]oxy}-3-iodo-5-nitrobenzonitrile

  • Molecular FormulaC12H11IN2O4
  • Average mass374.131 Da
  • Monoisotopic mass373.976349 Da
  • ChemSpider ID51896112

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-{[(1R,2R)-2-Hydroxycyclopentyl]oxy}-3-iod-5-nitrobenzonitril [German] [ACD/IUPAC Name]
4-{[(1R,2R)-2-Hydroxycyclopentyl]oxy}-3-iodo-5-nitrobenzonitrile [ACD/IUPAC Name]
4-{[(1R,2R)-2-Hydroxycyclopentyl]oxy}-3-iodo-5-nitrobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[[(1R,2R)-2-hydroxycyclopentyl]oxy]-3-iodo-5-nitro- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 500.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 256.5±30.1 °C
Index of Refraction: 1.672
Molar Refractivity: 74.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.77
ACD/KOC (pH 5.5): 494.63
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 40.77
ACD/KOC (pH 7.4): 494.63
Polar Surface Area: 99 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 74.9±5.0 dyne/cm
Molar Volume: 199.4±5.0 cm3

Click to predict properties on the Chemicalize site


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