ChemSpider 2D Image | 2-(2,4-Dichlorophenyl)-5-methyl-4-[(2-nitrophenyl)sulfonyl]-2,4-dihydro-3H-1,2,4-triazol-3-one | C15H10Cl2N4O5S

2-(2,4-Dichlorophenyl)-5-methyl-4-[(2-nitrophenyl)sulfonyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

  • Molecular FormulaC15H10Cl2N4O5S
  • Average mass429.235 Da
  • Monoisotopic mass427.974884 Da
  • ChemSpider ID21126363

More details:

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

2-(2,4-Dichlorophenyl)-5-methyl-4-[(2-nitrophenyl)sulfonyl]-2,4-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
2-(2,4-Dichlorophényl)-5-méthyl-4-[(2-nitrophényl)sulfonyl]-2,4-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC Name]
2-(2,4-Dichlorphenyl)-5-methyl-4-[(2-nitrophenyl)sulfonyl]-2,4-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
3H-1,2,4-Triazol-3-one, 2-(2,4-dichlorophenyl)-2,4-dihydro-5-methyl-4-[(2-nitrophenyl)sulfonyl]- [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: 581.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 305.6±32.9 °C
Index of Refraction: 1.714
Molar Refractivity: 100.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 65.24
ACD/KOC (pH 5.5): 692.51
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 65.24
ACD/KOC (pH 7.4): 692.51
Polar Surface Area: 124 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 70.3±7.0 dyne/cm
Molar Volume: 255.4±7.0 cm3

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