ChemSpider 2D Image | (3R,7aS)-2,3-Bis(3,4-dichlorophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one | C18H14Cl4N2O

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

  • Molecular FormulaC18H14Cl4N2O
  • Average mass416.129 Da
  • Monoisotopic mass413.986023 Da
  • ChemSpider ID28951064

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,7aS)-2,3-Bis(3,4-dichlorophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one [ACD/IUPAC Name]
(3R,7aS)-2,3-Bis(3,4-dichlorophényl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one [French] [ACD/IUPAC Name]
(3R,7aS)-2,3-Bis(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-bis(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: 1.6±0.1 g/cm3
Boiling Point: 608.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 322.1±31.5 °C
Index of Refraction: 1.697
Molar Refractivity: 102.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 6003.27
ACD/KOC (pH 5.5): 17602.10
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 6032.05
ACD/KOC (pH 7.4): 17686.47
Polar Surface Area: 24 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 67.3±5.0 dyne/cm
Molar Volume: 265.7±5.0 cm3

Click to predict properties on the Chemicalize site


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