ChemSpider 2D Image | 3-[6-(4-Bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-1-propanol | C13H13BrN4OS

3-[6-(4-Bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-1-propanol

  • Molecular FormulaC13H13BrN4OS
  • Average mass353.237 Da
  • Monoisotopic mass351.999329 Da
  • ChemSpider ID24735268

More details:

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

3-[6-(4-Bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-1-propanol [ACD/IUPAC Name]
3-[6-(4-Bromophényl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-1-propanol [French] [ACD/IUPAC Name]
3-[6-(4-Bromphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-1-propanol [German] [ACD/IUPAC Name]
7H-1,2,4-Triazolo[3,4-b][1,3,4]thiadiazine-3-propanol, 6-(4-bromophenyl)- [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: 561.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 293.5±32.9 °C
Index of Refraction: 1.754
Molar Refractivity: 84.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 35.91
ACD/KOC (pH 5.5): 451.66
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 35.93
ACD/KOC (pH 7.4): 451.84
Polar Surface Area: 89 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 65.0±7.0 dyne/cm
Molar Volume: 205.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement