ChemSpider 2D Image | 5-({[3-Chloro-5-(trifluoromethyl)benzoyl](methyl)amino}methyl)-2-methyl-3-furoic acid | C16H13ClF3NO4

5-({[3-Chloro-5-(trifluoromethyl)benzoyl](methyl)amino}methyl)-2-methyl-3-furoic acid

  • Molecular FormulaC16H13ClF3NO4
  • Average mass375.727 Da
  • Monoisotopic mass375.048523 Da
  • ChemSpider ID57986362

More details:

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

3-Furancarboxylic acid, 5-[[[3-chloro-5-(trifluoromethyl)benzoyl]methylamino]methyl]-2-methyl- [ACD/Index Name]
5-({[3-Chlor-5-(trifluormethyl)benzoyl](methyl)amino}methyl)-2-methyl-3-furoesäure [German] [ACD/IUPAC Name]
5-({[3-Chloro-5-(trifluoromethyl)benzoyl](methyl)amino}methyl)-2-methyl-3-furoic acid [ACD/IUPAC Name]
Acide 5-({[3-chloro-5-(trifluorométhyl)benzoyl](méthyl)amino}méthyl)-2-méthyl-3-furoïque [French] [ACD/IUPAC 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: 514.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 264.8±30.1 °C
Index of Refraction: 1.545
Molar Refractivity: 83.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 31.12
ACD/KOC (pH 5.5): 189.59
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.51
Polar Surface Area: 71 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 262.5±3.0 cm3

Click to predict properties on the Chemicalize site


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