ChemSpider 2D Image | {(1Z)-5-Fluoro-2-methyl-1-[{4-[(~2~H_3_)methylsulfanyl]phenyl}(~2~H)methylene]-1H-inden-3-yl}(~2~H_2_)acetic acid | C20H11D6FO2S

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

  • Molecular FormulaC20H11D6FO2S
  • Average mass346.448 Da
  • Monoisotopic mass346.130981 Da
  • ChemSpider ID58794003

  • 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]phenyl}(2H)methylen]-1H-inden-3-yl}(2H2)essigsäure [German] [ACD/IUPAC Name]
{(1Z)-5-Fluoro-2-methyl-1-[{4-[(2H3)methylsulfanyl]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-thio)phenyl]methylene-d]-, (1Z)- [ACD/Index Name]
Acide {(1Z)-5-fluoro-2-méthyl-1-[{4-[(2H3)méthylsulfanyl]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: 1.3±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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