ChemSpider 2D Image | (3R,7aS)-2-(3-Chlorophenyl)-3-(3,4-dichlorophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one | C18H15Cl3N2O

(3R,7aS)-2-(3-Chlorophenyl)-3-(3,4-dichlorophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one

  • Molecular FormulaC18H15Cl3N2O
  • Average mass381.684 Da
  • Monoisotopic mass380.024994 Da
  • ChemSpider ID28951167

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,7aS)-2-(3-Chlorophenyl)-3-(3,4-dichlorophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one [ACD/IUPAC Name]
(3R,7aS)-2-(3-Chlorophényl)-3-(3,4-dichlorophényl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one [French] [ACD/IUPAC Name]
(3R,7aS)-2-(3-Chlorphenyl)-3-(3,4-dichlorphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-on [German] [ACD/IUPAC Name]
1H-Pyrrolo[1,2-c]imidazol-1-one, 2-(3-chlorophenyl)-3-(3,4-dichlorophenyl)hexahydro-, (3R,7aS)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 572.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 299.9±30.1 °C
Index of Refraction: 1.691
Molar Refractivity: 97.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3280.14
ACD/KOC (pH 5.5): 11410.38
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3305.68
ACD/KOC (pH 7.4): 11499.24
Polar Surface Area: 24 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 254.8±5.0 cm3

Click to predict properties on the Chemicalize site


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