ChemSpider 2D Image | 2-[(4-Bromo-3-methylphenyl)amino]-5-nitrobenzenesulfonamide | C13H12BrN3O4S

2-[(4-Bromo-3-methylphenyl)amino]-5-nitrobenzenesulfonamide

  • Molecular FormulaC13H12BrN3O4S
  • Average mass386.221 Da
  • Monoisotopic mass384.973175 Da
  • ChemSpider ID24701184

More details:

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

2-[(4-Brom-3-methylphenyl)amino]-5-nitrobenzolsulfonamid [German] [ACD/IUPAC Name]
2-[(4-Bromo-3-methylphenyl)amino]-5-nitrobenzenesulfonamide [ACD/IUPAC Name]
2-[(4-Bromo-3-méthylphényl)amino]-5-nitrobenzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 2-[(4-bromo-3-methylphenyl)amino]-5-nitro- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL483725/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 548.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 285.4±32.9 °C
Index of Refraction: 1.675
Molar Refractivity: 85.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 412.68
ACD/KOC (pH 5.5): 2593.30
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 409.68
ACD/KOC (pH 7.4): 2574.45
Polar Surface Area: 126 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 69.2±3.0 dyne/cm
Molar Volume: 228.7±3.0 cm3

Click to predict properties on the Chemicalize site


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