ChemSpider 2D Image | 2-{[(4-Bromo-2-fluorophenyl)sulfonyl]amino}-5-phenoxybenzoic acid | C19H13BrFNO5S

2-{[(4-Bromo-2-fluorophenyl)sulfonyl]amino}-5-phenoxybenzoic acid

  • Molecular FormulaC19H13BrFNO5S
  • Average mass466.278 Da
  • Monoisotopic mass464.968170 Da
  • ChemSpider ID30788683

More details:

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

2-{[(4-Brom-2-fluorphenyl)sulfonyl]amino}-5-phenoxybenzoesäure [German] [ACD/IUPAC Name]
2-{[(4-Bromo-2-fluorophenyl)sulfonyl]amino}-5-phenoxybenzoic acid [ACD/IUPAC Name]
Acide 2-{[(4-bromo-2-fluorophényl)sulfonyl]amino}-5-phénoxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[(4-bromo-2-fluorophenyl)sulfonyl]amino]-5-phenoxy- [ACD/Index Name]
1O3

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

Density: 1.7±0.1 g/cm3
Boiling Point: 584.5±60.0 °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: 307.3±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 104.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 43.66
ACD/KOC (pH 5.5): 113.40
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 5.22
ACD/KOC (pH 7.4): 13.54
Polar Surface Area: 101 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 63.6±3.0 dyne/cm
Molar Volume: 282.1±3.0 cm3

Click to predict properties on the Chemicalize site


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