ChemSpider 2D Image | 4-Cyanobenzyl (2-chloro-6-fluorophenyl)acetate | C16H11ClFNO2

4-Cyanobenzyl (2-chloro-6-fluorophenyl)acetate

  • Molecular FormulaC16H11ClFNO2
  • Average mass303.715 Da
  • Monoisotopic mass303.046234 Da
  • ChemSpider ID21983506

More details:

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

(2-Chloro-6-fluorophényl)acétate de 4-cyanobenzyle [French] [ACD/IUPAC Name]
4-Cyanbenzyl-(2-chlor-6-fluorphenyl)acetat [German] [ACD/IUPAC Name]
4-Cyanobenzyl (2-chloro-6-fluorophenyl)acetate [ACD/IUPAC Name]
Benzeneacetic acid, 2-chloro-6-fluoro-, (4-cyanophenyl)methyl ester [ACD/Index Name]
(4-CYANOPHENYL)METHYL 2-(2-CHLORO-6-FLUOROPHENYL)ACETATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 427.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.2±3.0 kJ/mol
Flash Point: 212.1±28.7 °C
Index of Refraction: 1.588
Molar Refractivity: 76.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 633.17
ACD/KOC (pH 5.5): 3523.14
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 633.17
ACD/KOC (pH 7.4): 3523.14
Polar Surface Area: 50 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 228.0±5.0 cm3

Click to predict properties on the Chemicalize site


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