ChemSpider 2D Image | 3-{[1-(2,3-Dichlorophenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}propanoic acid | C13H11Cl2NO4S

3-{[1-(2,3-Dichlorophenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}propanoic acid

  • Molecular FormulaC13H11Cl2NO4S
  • Average mass348.202 Da
  • Monoisotopic mass346.978577 Da
  • ChemSpider ID23367382

More details:

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

3-{[1-(2,3-Dichlorophenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}propanoic acid [ACD/IUPAC Name]
3-{[1-(2,3-Dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}propanoic acid
3-{[1-(2,3-Dichlorphenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}propansäure [German] [ACD/IUPAC Name]
Acide 3-{[1-(2,3-dichlorophényl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[[1-(2,3-dichlorophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]- [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: 652.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 348.4±31.5 °C
Index of Refraction: 1.661
Molar Refractivity: 80.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.53
ACD/LogD (pH 7.4): -1.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 100 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 73.6±5.0 dyne/cm
Molar Volume: 217.9±5.0 cm3

Click to predict properties on the Chemicalize site


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