ChemSpider 2D Image | (2E)-3-{4-[(6-Chloro-1,3-benzodioxol-5-yl)sulfamoyl]phenyl}acrylic acid | C16H12ClNO6S

(2E)-3-{4-[(6-Chloro-1,3-benzodioxol-5-yl)sulfamoyl]phenyl}acrylic acid

  • Molecular FormulaC16H12ClNO6S
  • Average mass381.788 Da
  • Monoisotopic mass381.007385 Da
  • ChemSpider ID22847178

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-{4-[(6-Chlor-1,3-benzodioxol-5-yl)sulfamoyl]phenyl}acrylsäure [German] [ACD/IUPAC Name]
(2E)-3-{4-[(6-Chloro-1,3-benzodioxol-5-yl)sulfamoyl]phenyl}acrylic acid [ACD/IUPAC Name]
2-Propenoic acid, 3-[4-[[(6-chloro-1,3-benzodioxol-5-yl)amino]sulfonyl]phenyl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-{4-[(6-chloro-1,3-benzodioxol-5-yl)sulfamoyl]phényl}acrylique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 581.5±60.0 °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: 305.5±32.9 °C
Index of Refraction: 1.686
Molar Refractivity: 90.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 4.20
ACD/KOC (pH 5.5): 37.04
ACD/LogD (pH 7.4): -0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 75.1±3.0 dyne/cm
Molar Volume: 237.3±3.0 cm3

Click to predict properties on the Chemicalize site


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