ChemSpider 2D Image | (2R,3S)-3-(4-Chlorophenyl)-4-methyl-2-(3-phenoxyphenyl)pentanenitrile | C24H22ClNO

(2R,3S)-3-(4-Chlorophenyl)-4-methyl-2-(3-phenoxyphenyl)pentanenitrile

  • Molecular FormulaC24H22ClNO
  • Average mass375.891 Da
  • Monoisotopic mass375.138977 Da
  • ChemSpider ID23354559

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-3-(4-Chlorophenyl)-4-methyl-2-(3-phenoxyphenyl)pentanenitrile [ACD/IUPAC Name]
(2R,3S)-3-(4-Chlorophényl)-4-méthyl-2-(3-phénoxyphényl)pentanenitrile [French] [ACD/IUPAC Name]
(2R,3S)-3-(4-Chlorphenyl)-4-methyl-2-(3-phenoxyphenyl)pentannitril [German] [ACD/IUPAC Name]
Benzenepropanenitrile, 4-chloro-β-(1-methylethyl)-α-(3-phenoxyphenyl)-, (αR,βS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 489.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 249.9±27.3 °C
Index of Refraction: 1.588
Molar Refractivity: 110.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.34
ACD/LogD (pH 5.5): 6.77
ACD/BCF (pH 5.5): 82591.34
ACD/KOC (pH 5.5): 115112.23
ACD/LogD (pH 7.4): 6.77
ACD/BCF (pH 7.4): 82591.34
ACD/KOC (pH 7.4): 115112.23
Polar Surface Area: 33 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 326.8±3.0 cm3

Click to predict properties on the Chemicalize site


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