ChemSpider 2D Image | 2-({2-Chloro-6-[(2,4-dichlorophenyl)sulfanyl]benzyl}carbamoyl)benzoic acid | C21H14Cl3NO3S

2-({2-Chloro-6-[(2,4-dichlorophenyl)sulfanyl]benzyl}carbamoyl)benzoic acid

  • Molecular FormulaC21H14Cl3NO3S
  • Average mass466.765 Da
  • Monoisotopic mass464.975983 Da
  • ChemSpider ID35033303

More details:






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

2-({2-Chlor-6-[(2,4-dichlorphenyl)sulfanyl]benzyl}carbamoyl)benzoesäure [German] [ACD/IUPAC Name]
2-({2-Chloro-6-[(2,4-dichlorophenyl)sulfanyl]benzyl}carbamoyl)benzoic acid [ACD/IUPAC Name]
Acide 2-({2-chloro-6-[(2,4-dichlorophényl)sulfanyl]benzyl}carbamoyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[[[2-chloro-6-[(2,4-dichlorophenyl)thio]phenyl]methyl]amino]carbonyl]- [ACD/Index Name]
03L

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 647.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 345.3±31.5 °C
Index of Refraction: 1.705
Molar Refractivity: 118.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.49
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 370.22
ACD/KOC (pH 5.5): 604.40
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 37.79
ACD/KOC (pH 7.4): 61.69
Polar Surface Area: 92 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 73.1±5.0 dyne/cm
Molar Volume: 303.4±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement