ChemSpider 2D Image | 3-Bromo-4-{[(4-chlorophenyl)sulfonyl]oxy}-5-methoxybenzoic acid | C14H10BrClO6S

3-Bromo-4-{[(4-chlorophenyl)sulfonyl]oxy}-5-methoxybenzoic acid

  • Molecular FormulaC14H10BrClO6S
  • Average mass421.648 Da
  • Monoisotopic mass419.906982 Da
  • ChemSpider ID68005479

More details:

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

3-Brom-4-{[(4-chlorphenyl)sulfonyl]oxy}-5-methoxybenzoesäure [German] [ACD/IUPAC Name]
3-Bromo-4-{[(4-chlorophenyl)sulfonyl]oxy}-5-methoxybenzoic acid [ACD/IUPAC Name]
Acide 3-bromo-4-{[(4-chlorophényl)sulfonyl]oxy}-5-méthoxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-bromo-4-[[(4-chlorophenyl)sulfonyl]oxy]-5-methoxy- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 573.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 300.8±30.1 °C
Index of Refraction: 1.622
Molar Refractivity: 87.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 5.24
ACD/KOC (pH 5.5): 26.35
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.52
Polar Surface Area: 98 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 247.8±3.0 cm3

Click to predict properties on the Chemicalize site


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