ChemSpider 2D Image | Ethyl 5-bromo-2-{[(3,4-dichlorophenyl)sulfonyl]amino}isonicotinate | C14H11BrCl2N2O4S

Ethyl 5-bromo-2-{[(3,4-dichlorophenyl)sulfonyl]amino}isonicotinate

  • Molecular FormulaC14H11BrCl2N2O4S
  • Average mass454.123 Da
  • Monoisotopic mass451.899994 Da
  • ChemSpider ID66237359

More details:






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

4-Pyridinecarboxylic acid, 5-bromo-2-[[(3,4-dichlorophenyl)sulfonyl]amino]-, ethyl ester [ACD/Index Name]
5-Bromo-2-{[(3,4-dichlorophényl)sulfonyl]amino}isonicotinate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-bromo-2-{[(3,4-dichlorophenyl)sulfonyl]amino}isonicotinate [ACD/IUPAC Name]
Ethyl-5-brom-2-{[(3,4-dichlorphenyl)sulfonyl]amino}isonicotinat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 544.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 283.3±32.9 °C
Index of Refraction: 1.631
Molar Refractivity: 94.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 349.60
ACD/KOC (pH 5.5): 1423.64
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 24.03
ACD/KOC (pH 7.4): 97.85
Polar Surface Area: 94 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 63.0±3.0 dyne/cm
Molar Volume: 266.3±3.0 cm3

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