ChemSpider 2D Image | 3-{3-[(4-Chlorophenyl)sulfonyl]-4-(2,5-difluorophenyl)cyclohexyl}propanoic acid | C21H21ClF2O4S

3-{3-[(4-Chlorophenyl)sulfonyl]-4-(2,5-difluorophenyl)cyclohexyl}propanoic acid

  • Molecular FormulaC21H21ClF2O4S
  • Average mass442.904 Da
  • Monoisotopic mass442.081726 Da
  • ChemSpider ID57261819

More details:

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

3-{3-[(4-Chlorophenyl)sulfonyl]-4-(2,5-difluorophenyl)cyclohexyl}propanoic acid [ACD/IUPAC Name]
3-{3-[(4-Chlorphenyl)sulfonyl]-4-(2,5-difluorphenyl)cyclohexyl}propansäure [German] [ACD/IUPAC Name]
Acide 3-{3-[(4-chlorophényl)sulfonyl]-4-(2,5-difluorophényl)cyclohexyl}propanoïque [French] [ACD/IUPAC Name]
Cyclohexanepropanoic acid, 3-[(4-chlorophenyl)sulfonyl]-4-(2,5-difluorophenyl)- [ACD/Index Name]
471905-41-6 [RN]
MK-0752

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

Density: 1.4±0.1 g/cm3
Boiling Point: 597.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 315.3±30.1 °C
Index of Refraction: 1.565
Molar Refractivity: 106.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 282.06
ACD/KOC (pH 5.5): 1161.81
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 4.51
ACD/KOC (pH 7.4): 18.58
Polar Surface Area: 80 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 327.0±3.0 cm3

Click to predict properties on the Chemicalize site


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