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

3-({4-[(4-Bromophenyl)amino]-2-pyrimidinyl}amino)benzonitrile

  • Molecular FormulaC17H12BrN5
  • Average mass366.215 Da
  • Monoisotopic mass365.027588 Da
  • ChemSpider ID46896587

More details:

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

3-({4-[(4-Bromophenyl)amino]-2-pyrimidinyl}amino)benzonitrile [ACD/IUPAC Name]
3-({4-[(4-Bromophényl)amino]-2-pyrimidinyl}amino)benzonitrile [French] [ACD/IUPAC Name]
3-({4-[(4-Bromphenyl)amino]-2-pyrimidinyl}amino)benzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 3-[[4-[(4-bromophenyl)amino]-2-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: 563.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 294.8±32.9 °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: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 792.77
ACD/KOC (pH 5.5): 3749.71
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1115.63
ACD/KOC (pH 7.4): 5276.82
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