ChemSpider 2D Image | 3-({6-[(4-Bromophenyl)amino]-4-pyrimidinyl}amino)benzonitrile | C17H12BrN5

3-({6-[(4-Bromophenyl)amino]-4-pyrimidinyl}amino)benzonitrile

  • Molecular FormulaC17H12BrN5
  • Average mass366.215 Da
  • Monoisotopic mass365.027588 Da
  • ChemSpider ID46860830

More details:

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

3-({6-[(4-Bromophenyl)amino]-4-pyrimidinyl}amino)benzonitrile [ACD/IUPAC Name]
3-({6-[(4-Bromophényl)amino]-4-pyrimidinyl}amino)benzonitrile [French] [ACD/IUPAC Name]
3-({6-[(4-Bromphenyl)amino]-4-pyrimidinyl}amino)benzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 3-[[6-[(4-bromophenyl)amino]-4-pyrimidinyl]amino]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 539.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 280.2±30.1 °C
Index of Refraction: 1.712
Molar Refractivity: 91.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 2014.38
ACD/KOC (pH 5.5): 7126.99
ACD/LogD (pH 7.4): 4.90
ACD/BCF (pH 7.4): 3093.39
ACD/KOC (pH 7.4): 10944.61
Polar Surface Area: 74 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 79.1±5.0 dyne/cm
Molar Volume: 233.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement