ChemSpider 2D Image | 2-[(3-Chloro-4-cyanophenyl)amino]-2-oxoethyl (2-bromo-4-fluorophenoxy)acetate | C17H11BrClFN2O4

2-[(3-Chloro-4-cyanophenyl)amino]-2-oxoethyl (2-bromo-4-fluorophenoxy)acetate

  • Molecular FormulaC17H11BrClFN2O4
  • Average mass441.636 Da
  • Monoisotopic mass439.957458 Da
  • ChemSpider ID30543678

More details:

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

(2-Bromo-4-fluorophénoxy)acétate de 2-[(3-chloro-4-cyanophényl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
2-[(3-Chlor-4-cyanphenyl)amino]-2-oxoethyl-(2-brom-4-fluorphenoxy)acetat [German] [ACD/IUPAC Name]
2-[(3-Chloro-4-cyanophenyl)amino]-2-oxoethyl (2-bromo-4-fluorophenoxy)acetate [ACD/IUPAC Name]
Acetic acid, 2-(2-bromo-4-fluorophenoxy)-, 2-[(3-chloro-4-cyanophenyl)amino]-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 627.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 333.3±31.5 °C
Index of Refraction: 1.625
Molar Refractivity: 94.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 555.18
ACD/KOC (pH 5.5): 3206.78
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 554.98
ACD/KOC (pH 7.4): 3205.59
Polar Surface Area: 88 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 267.5±5.0 cm3

Click to predict properties on the Chemicalize site


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