ChemSpider 2D Image | 2-[3-Isopropyl-1-(2-pyridinyl)-1H-1,2,4-triazol-5-yl]-4-(1H-tetrazol-1-yl)phenol | C17H16N8O

2-[3-Isopropyl-1-(2-pyridinyl)-1H-1,2,4-triazol-5-yl]-4-(1H-tetrazol-1-yl)phenol

  • Molecular FormulaC17H16N8O
  • Average mass348.362 Da
  • Monoisotopic mass348.144714 Da
  • ChemSpider ID29622931

More details:

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

2-[3-Isopropyl-1-(2-pyridinyl)-1H-1,2,4-triazol-5-yl]-4-(1H-tetrazol-1-yl)phenol [German] [ACD/IUPAC Name]
2-[3-Isopropyl-1-(2-pyridinyl)-1H-1,2,4-triazol-5-yl]-4-(1H-tetrazol-1-yl)phenol [ACD/IUPAC Name]
2-[3-Isopropyl-1-(2-pyridinyl)-1H-1,2,4-triazol-5-yl]-4-(1H-tétrazol-1-yl)phénol [French] [ACD/IUPAC Name]
Phenol, 2-[3-(1-methylethyl)-1-(2-pyridinyl)-1H-1,2,4-triazol-5-yl]-4-(1H-tetrazol-1-yl)- [ACD/Index Name]
2-(3-isopropyl-1-pyridin-2-yl-1H-1,2,4-triazol-5-yl)-4-(1H-tetrazol-1-yl)phenol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 641.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 341.8±34.3 °C
Index of Refraction: 1.757
Molar Refractivity: 97.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 3.49
ACD/KOC (pH 5.5): 70.78
ACD/LogD (pH 7.4): -0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.93
Polar Surface Area: 107 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 62.9±7.0 dyne/cm
Molar Volume: 237.5±7.0 cm3

Click to predict properties on the Chemicalize site


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