ChemSpider 2D Image | Methyl 2-(2-fluoro-4-biphenylyl)(3,3,3-~2~H_3_)propanoate | C16H12D3FO2

Methyl 2-(2-fluoro-4-biphenylyl)(3,3,3-2H3)propanoate

  • Molecular FormulaC16H12D3FO2
  • Average mass261.306 Da
  • Monoisotopic mass261.124451 Da
  • ChemSpider ID48061079

  • Non-standard isotope - Non-standard isotope

More details:

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

[1,1'-Biphenyl]-4-acetic acid, 2-fluoro-α-(methyl-d3)-, methyl ester [ACD/Index Name]
2-(2-Fluoro-4-biphénylyl)(3,3,3-2H3)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-(2-fluoro-4-biphenylyl)(3,3,3-2H3)propanoate [ACD/IUPAC Name]
Methyl-2-(2-fluor-4-biphenylyl)(3,3,3-2H3)propanoat [German] [ACD/IUPAC Name]
1189973-18-9 [RN]
methyl 3,3,3-trideuterio-2-(3-fluoro-4-phenylphenyl)propanoate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 337.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.1±3.0 kJ/mol
Flash Point: 152.6±19.4 °C
Index of Refraction: 1.536
Molar Refractivity: 71.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 828.49
ACD/KOC (pH 5.5): 4270.83
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 828.49
ACD/KOC (pH 7.4): 4270.83
Polar Surface Area: 26 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 229.0±3.0 cm3

Click to predict properties on the Chemicalize site


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