ChemSpider 2D Image | MFCD09865891 | C11H16INO2

MFCD09865891

  • Molecular FormulaC11H16INO2
  • Average mass321.155 Da
  • Monoisotopic mass321.022552 Da
  • ChemSpider ID22898193

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(5R,6R)-6-Iodo-2,3,4,5,6,7-hexahydro-1H-indén-5-yl]carbamate de méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(5R,6R)-2,3,4,5,6,7-hexahydro-6-iodo-1H-inden-5-yl]-, methyl ester [ACD/Index Name]
METHYL (5R,6R)-6-IODO-2,3,4,5,6,7-HEXAHYDRO-1H-INDEN-5-YLCARBAMATE
Methyl [(5R,6R)-6-iodo-2,3,4,5,6,7-hexahydro-1H-inden-5-yl]carbamate [ACD/IUPAC Name]
Methyl-[(5R,6R)-6-iod-2,3,4,5,6,7-hexahydro-1H-inden-5-yl]carbamat [German] [ACD/IUPAC Name]
MFCD09865891

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

Density: 1.6±0.1 g/cm3
Boiling Point: 399.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.0±3.0 kJ/mol
Flash Point: 195.5±27.9 °C
Index of Refraction: 1.588
Molar Refractivity: 66.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 148.25
ACD/KOC (pH 5.5): 1246.24
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 148.23
ACD/KOC (pH 7.4): 1246.10
Polar Surface Area: 38 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 198.3±5.0 cm3

Click to predict properties on the Chemicalize site


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