ChemSpider 2D Image | 2,6-Dichloro-N-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)methyl]-4-nitroaniline | C13H13Cl2N5O2

2,6-Dichloro-N-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)methyl]-4-nitroaniline

  • Molecular FormulaC13H13Cl2N5O2
  • Average mass342.181 Da
  • Monoisotopic mass341.044617 Da
  • ChemSpider ID35180741

More details:

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

2,6-Dichlor-N-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)methyl]-4-nitroanilin [German] [ACD/IUPAC Name]
2,6-Dichloro-N-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)methyl]-4-nitroaniline [ACD/IUPAC Name]
2,6-Dichloro-N-[(4-cyclopropyl-5-méthyl-4H-1,2,4-triazol-3-yl)méthyl]-4-nitroaniline [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole-3-methanamine, 4-cyclopropyl-N-(2,6-dichloro-4-nitrophenyl)-5-methyl- [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: 565.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 296.1±32.9 °C
Index of Refraction: 1.742
Molar Refractivity: 82.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 139.39
ACD/KOC (pH 5.5): 1190.64
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 140.14
ACD/KOC (pH 7.4): 1197.03
Polar Surface Area: 89 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 65.2±7.0 dyne/cm
Molar Volume: 204.4±7.0 cm3

Click to predict properties on the Chemicalize site


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