ChemSpider 2D Image | [(1Z)-5-Fluoro-2-methyl-1-{4-[(~2~H_3_)methylsulfanyl]benzylidene}-1H-inden-3-yl]acetic acid | C20H14D3FO2S

[(1Z)-5-Fluoro-2-methyl-1-{4-[(2H3)methylsulfanyl]benzylidene}-1H-inden-3-yl]acetic acid

  • Molecular FormulaC20H14D3FO2S
  • Average mass343.430 Da
  • Monoisotopic mass343.112152 Da
  • ChemSpider ID8744783
  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope


More details:






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

[(1Z)-5-Fluor-2-methyl-1-{4-[(2H3)methylsulfanyl]benzyliden}-1H-inden-3-yl]essigsäure [German] [ACD/IUPAC Name]
[(1Z)-5-Fluoro-2-methyl-1-{4-[(2H3)methylsulfanyl]benzylidene}-1H-inden-3-yl]acetic acid [ACD/IUPAC Name]
1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-[[4-(methyl-d3-thio)phenyl]methylene]-, (1Z)- [ACD/Index Name]
Acide [(1Z)-5-fluoro-2-méthyl-1-{4-[(2H3)méthylsulfanyl]benzylidène}-1H-indén-3-yl]acétique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 526.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 272.1±30.1 °C
Index of Refraction: 1.653
Molar Refractivity: 95.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 318.02
ACD/KOC (pH 5.5): 944.54
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 5.24
ACD/KOC (pH 7.4): 15.58
Polar Surface Area: 63 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 260.5±5.0 cm3

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