ChemSpider 2D Image | 4-{[(2-Chlorobenzyl)sulfonyl]methyl}-5-methyl-2-furoic acid | C14H13ClO5S

4-{[(2-Chlorobenzyl)sulfonyl]methyl}-5-methyl-2-furoic acid

  • Molecular FormulaC14H13ClO5S
  • Average mass328.768 Da
  • Monoisotopic mass328.017212 Da
  • ChemSpider ID52893820

More details:

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

2-Furancarboxylic acid, 4-[[[(2-chlorophenyl)methyl]sulfonyl]methyl]-5-methyl- [ACD/Index Name]
4-{[(2-Chlorbenzyl)sulfonyl]methyl}-5-methyl-2-furoesäure [German] [ACD/IUPAC Name]
4-{[(2-Chlorobenzyl)sulfonyl]methyl}-5-methyl-2-furoic acid [ACD/IUPAC Name]
Acide 4-{[(2-chlorobenzyl)sulfonyl]méthyl}-5-méthyl-2-furoïque [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: 584.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 307.5±30.1 °C
Index of Refraction: 1.599
Molar Refractivity: 77.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.19
ACD/LogD (pH 7.4): -0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 227.5±3.0 cm3

Click to predict properties on the Chemicalize site


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