ChemSpider 2D Image | 4-[(1H-Tetrazol-5-ylmethyl)amino]-2-(trifluoromethyl)benzonitrile | C10H7F3N6

4-[(1H-Tetrazol-5-ylmethyl)amino]-2-(trifluoromethyl)benzonitrile

  • Molecular FormulaC10H7F3N6
  • Average mass268.198 Da
  • Monoisotopic mass268.068420 Da
  • ChemSpider ID37058851

More details:

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

4-[(1H-Tetrazol-5-ylmethyl)amino]-2-(trifluormethyl)benzonitril [German] [ACD/IUPAC Name]
4-[(1H-Tetrazol-5-ylmethyl)amino]-2-(trifluoromethyl)benzonitrile [ACD/IUPAC Name]
4-[(1H-Tétrazol-5-ylméthyl)amino]-2-(trifluorométhyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[(1H-tetrazol-5-ylmethyl)amino]-2-(trifluoromethyl)- [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: 503.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.3±3.0 kJ/mol
Flash Point: 258.2±32.9 °C
Index of Refraction: 1.563
Molar Refractivity: 56.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.84
ACD/LogD (pH 7.4): -0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.96
Polar Surface Area: 90 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 69.6±5.0 dyne/cm
Molar Volume: 174.3±5.0 cm3

Click to predict properties on the Chemicalize site


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