Found 776 results

Search term: MF = 'C_{11}H_{13}N_{5}O_{4}S'
ChemSpider 2D Image | 4-(Methylsulfonyl)-2-nitro-N-[2-(1H-1,2,4-triazol-3-yl)ethyl]aniline | C11H13N5O4S

4-(Methylsulfonyl)-2-nitro-N-[2-(1H-1,2,4-triazol-3-yl)ethyl]aniline

  • Molecular FormulaC11H13N5O4S
  • Average mass311.317 Da
  • Monoisotopic mass311.068817 Da
  • ChemSpider ID30233670

More details:

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

4-(Methylsulfonyl)-2-nitro-N-[2-(1H-1,2,4-triazol-3-yl)ethyl]anilin [German] [ACD/IUPAC Name]
4-(Methylsulfonyl)-2-nitro-N-[2-(1H-1,2,4-triazol-3-yl)ethyl]aniline [ACD/IUPAC Name]
4-(Méthylsulfonyl)-2-nitro-N-[2-(1H-1,2,4-triazol-3-yl)éthyl]aniline [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole-3-ethanamine, N-[4-(methylsulfonyl)-2-nitrophenyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 650.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 347.4±34.3 °C
Index of Refraction: 1.637
Molar Refractivity: 73.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.49
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 2.04
ACD/KOC (pH 5.5): 57.83
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 2.05
ACD/KOC (pH 7.4): 58.14
Polar Surface Area: 142 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 80.9±3.0 dyne/cm
Molar Volume: 204.5±3.0 cm3

Click to predict properties on the Chemicalize site


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