ChemSpider 2D Image | 1-Benzothiophen-3-ylmethyl [4-(difluoromethoxy)phenyl]acetate | C18H14F2O3S

1-Benzothiophen-3-ylmethyl [4-(difluoromethoxy)phenyl]acetate

  • Molecular FormulaC18H14F2O3S
  • Average mass348.364 Da
  • Monoisotopic mass348.063171 Da
  • ChemSpider ID70801540

More details:

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

[4-(Difluorométhoxy)phényl]acétate de 1-benzothiophén-3-ylméthyle [French] [ACD/IUPAC Name]
1-Benzothiophen-3-ylmethyl [4-(difluoromethoxy)phenyl]acetate [ACD/IUPAC Name]
1-Benzothiophen-3-ylmethyl-[4-(difluormethoxy)phenyl]acetat [German] [ACD/IUPAC Name]
Benzeneacetic acid, 4-(difluoromethoxy)-, benzo[b]thien-3-ylmethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 459.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 231.7±27.3 °C
Index of Refraction: 1.603
Molar Refractivity: 89.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 5792.35
ACD/KOC (pH 5.5): 17180.81
ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 7.4): 5792.35
ACD/KOC (pH 7.4): 17180.81
Polar Surface Area: 64 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 261.8±3.0 cm3

Click to predict properties on the Chemicalize site


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