ChemSpider 2D Image | 7-Amino-1-(3-bromophenyl)-1H-pyrazolo[4,3-d]pyrimidine-3-carbonitrile | C12H7BrN6

7-Amino-1-(3-bromophenyl)-1H-pyrazolo[4,3-d]pyrimidine-3-carbonitrile

  • Molecular FormulaC12H7BrN6
  • Average mass315.128 Da
  • Monoisotopic mass313.991547 Da
  • ChemSpider ID21126193

More details:

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

1H-Pyrazolo[4,3-d]pyrimidine-3-carbonitrile, 7-amino-1-(3-bromophenyl)- [ACD/Index Name]
7-Amino-1-(3-bromophenyl)-1H-pyrazolo[4,3-d]pyrimidine-3-carbonitrile [ACD/IUPAC Name]
7-Amino-1-(3-bromophényl)-1H-pyrazolo[4,3-d]pyrimidine-3-carbonitrile [French] [ACD/IUPAC Name]
7-Amino-1-(3-bromphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-carbonitril [German] [ACD/IUPAC 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: 539.4±60.0 °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: 280.0±32.9 °C
Index of Refraction: 1.822
Molar Refractivity: 74.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.86
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 5.01
ACD/KOC (pH 5.5): 110.28
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 5.01
ACD/KOC (pH 7.4): 110.29
Polar Surface Area: 90 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 75.2±7.0 dyne/cm
Molar Volume: 171.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement