ChemSpider 2D Image | {(1Z)-5-Fluoro-2-methyl-1-[{4-[(~2~H_3_)methylsulfinyl]phenyl}(~2~H)methylene]-1H-inden-3-yl}(~2~H_2_)acetic acid | C20H11D6FO3S

{(1Z)-5-Fluoro-2-methyl-1-[{4-[(2H3)methylsulfinyl]phenyl}(2H)methylene]-1H-inden-3-yl}(2H2)acetic acid

  • Molecular FormulaC20H11D6FO3S
  • Average mass362.448 Da
  • Monoisotopic mass362.125916 Da
  • ChemSpider ID58784704

  • 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)methylsulfinyl]phenyl}(2H)methylen]-1H-inden-3-yl}(2H2)essigsäure [German] [ACD/IUPAC Name]
{(1Z)-5-Fluoro-2-methyl-1-[{4-[(2H3)methylsulfinyl]phenyl}(2H)methylene]-1H-inden-3-yl}(2H2)acetic acid [ACD/IUPAC Name]
1H-Indene-3-acetic-d2 acid, 5-fluoro-2-methyl-1-[[4-(methyl-d3-sulfinyl)phenyl]methylene-d]-, (1Z)- [ACD/Index Name]
Acide {(1Z)-5-fluoro-2-méthyl-1-[{4-[(2H3)méthylsulfinyl]phényl}(2H)méthylène]-1H-indén-3-yl}(2H2)acétique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 581.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 305.6±30.1 °C
Index of Refraction: 1.673
Molar Refractivity: 96.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 11.79
ACD/KOC (pH 5.5): 89.18
ACD/LogD (pH 7.4): 0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.47
Polar Surface Area: 74 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 65.9±5.0 dyne/cm
Molar Volume: 256.7±5.0 cm3

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