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Search term: NEVMXGDLGIPGER-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | {2,3-Dichloro-4-[2-(methylsulfanyl)butanoyl]phenoxy}acetic acid | C13H14Cl2O4S

{2,3-Dichloro-4-[2-(methylsulfanyl)butanoyl]phenoxy}acetic acid

  • Molecular FormulaC13H14Cl2O4S
  • Average mass337.219 Da
  • Monoisotopic mass335.998993 Da
  • ChemSpider ID23172063

More details:

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

{2,3-Dichlor-4-[2-(methylsulfanyl)butanoyl]phenoxy}essigsäure [German] [ACD/IUPAC Name]
{2,3-Dichloro-4-[2-(methylsulfanyl)butanoyl]phenoxy}acetic acid [ACD/IUPAC Name]
Acetic acid, 2-[2,3-dichloro-4-[2-(methylthio)-1-oxobutyl]phenoxy]- [ACD/Index Name]
Acide {2,3-dichloro-4-[2-(méthylsulfanyl)butanoyl]phénoxy}acétique [French] [ACD/IUPAC Name]
[2,3-Dichloro-4-(2-methylsulfanyl-butyryl)-phenoxy]-acetic acid
2-{2,3-dichloro-4-[2-(methylsulfanyl)butanoyl]phenoxy}acetic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 495.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 253.2±28.7 °C
Index of Refraction: 1.577
Molar Refractivity: 80.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.57
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 243.9±3.0 cm3

Click to predict properties on the Chemicalize site


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