ChemSpider 2D Image | (2S)-2-Bromo-N-(4-iodophenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide | C17H19BrINO2

(2S)-2-Bromo-N-(4-iodophenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

  • Molecular FormulaC17H19BrINO2
  • Average mass476.147 Da
  • Monoisotopic mass474.964355 Da
  • ChemSpider ID22872432

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(2S)-2-Brom-N-(4-iodphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptan-1-carboxamid [German] [ACD/IUPAC Name]
(2S)-2-Bromo-N-(4-iodophenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide [ACD/IUPAC Name]
(2S)-2-Bromo-N-(4-iodophényl)-4,7,7-triméthyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptane-1-carboxamide, 2-bromo-N-(4-iodophenyl)-4,7,7-trimethyl-3-oxo-, (2S)- [ACD/Index Name]
(3S)-3-bromo-N-(4-iodophenyl)-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-4-carboxamide
1212436-35-5 [RN]
2058078-86-5 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 527.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 272.5±30.1 °C
Index of Refraction: 1.669
Molar Refractivity: 98.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 529.09
ACD/KOC (pH 5.5): 3098.16
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 529.09
ACD/KOC (pH 7.4): 3098.16
Polar Surface Area: 46 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 264.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement