ChemSpider 2D Image | 3-[(2-Bromophenyl)sulfamoyl]-4-chlorobenzoic acid | C13H9BrClNO4S

3-[(2-Bromophenyl)sulfamoyl]-4-chlorobenzoic acid

  • Molecular FormulaC13H9BrClNO4S
  • Average mass390.637 Da
  • Monoisotopic mass388.912415 Da
  • ChemSpider ID21768127

More details:

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

3-[(2-Bromophenyl)sulfamoyl]-4-chlorobenzoic acid [ACD/IUPAC Name]
3-[(2-Bromphenyl)sulfamoyl]-4-chlorbenzoesäure [German] [ACD/IUPAC Name]
Acide 3-[(2-bromophényl)sulfamoyl]-4-chlorobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[(2-bromophenyl)amino]sulfonyl]-4-chloro- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 561.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 293.6±32.9 °C
Index of Refraction: 1.679
Molar Refractivity: 82.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 3.99
ACD/KOC (pH 5.5): 22.79
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.77
Polar Surface Area: 92 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 70.0±3.0 dyne/cm
Molar Volume: 219.2±3.0 cm3

Click to predict properties on the Chemicalize site


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