ChemSpider 2D Image | 4-{[({1-[2-Chloro-5-(trifluoromethyl)phenyl]cyclopropyl}methyl)amino]methyl}benzoic acid | C19H17ClF3NO2

4-{[({1-[2-Chloro-5-(trifluoromethyl)phenyl]cyclopropyl}methyl)amino]methyl}benzoic acid

  • Molecular FormulaC19H17ClF3NO2
  • Average mass383.792 Da
  • Monoisotopic mass383.089996 Da
  • ChemSpider ID57921061

More details:

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

4-{[({1-[2-Chlor-5-(trifluormethyl)phenyl]cyclopropyl}methyl)amino]methyl}benzoesäure [German] [ACD/IUPAC Name]
4-{[({1-[2-Chloro-5-(trifluoromethyl)phenyl]cyclopropyl}methyl)amino]methyl}benzoic acid [ACD/IUPAC Name]
Acide 4-{[({1-[2-chloro-5-(trifluorométhyl)phényl]cyclopropyl}méthyl)amino]méthyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]amino]methyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 464.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 234.6±28.7 °C
Index of Refraction: 1.572
Molar Refractivity: 92.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 22.56
ACD/KOC (pH 5.5): 62.71
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 22.98
ACD/KOC (pH 7.4): 63.87
Polar Surface Area: 49 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 280.9±3.0 cm3

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