ChemSpider 2D Image | 3-[1-(4-Bromo-3-fluorophenyl)-1H-tetrazol-5-yl]-5-fluoroaniline | C13H8BrF2N5

3-[1-(4-Bromo-3-fluorophenyl)-1H-tetrazol-5-yl]-5-fluoroaniline

  • Molecular FormulaC13H8BrF2N5
  • Average mass352.137 Da
  • Monoisotopic mass350.993103 Da
  • ChemSpider ID37167593

More details:

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

3-[1-(4-Brom-3-fluorphenyl)-1H-tetrazol-5-yl]-5-fluoranilin [German] [ACD/IUPAC Name]
3-[1-(4-Bromo-3-fluorophenyl)-1H-tetrazol-5-yl]-5-fluoroaniline [ACD/IUPAC Name]
3-[1-(4-Bromo-3-fluorophényl)-1H-tétrazol-5-yl]-5-fluoroaniline [French] [ACD/IUPAC Name]
Benzenamine, 3-[1-(4-bromo-3-fluorophenyl)-1H-tetrazol-5-yl]-5-fluoro- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 525.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 271.8±32.9 °C
Index of Refraction: 1.715
Molar Refractivity: 77.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 74.69
ACD/KOC (pH 5.5): 762.88
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 74.72
ACD/KOC (pH 7.4): 763.15
Polar Surface Area: 70 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 196.5±7.0 cm3

Click to predict properties on the Chemicalize site


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