ChemSpider 2D Image | 4-(1H-Benzotriazol-1-yl)-2-(4-chlorophenyl)-5-pyrimidinecarboxylic acid | C17H10ClN5O2

4-(1H-Benzotriazol-1-yl)-2-(4-chlorophenyl)-5-pyrimidinecarboxylic acid

  • Molecular FormulaC17H10ClN5O2
  • Average mass351.747 Da
  • Monoisotopic mass351.052307 Da
  • ChemSpider ID67303501

More details:

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

4-(1H-Benzotriazol-1-yl)-2-(4-chlorophenyl)-5-pyrimidinecarboxylic acid [ACD/IUPAC Name]
4-(1H-Benzotriazol-1-yl)-2-(4-chlorphenyl)-5-pyrimidincarbonsäure [German] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 4-(1H-1,2,3-benzotriazol-1-yl)-2-(4-chlorophenyl)- [ACD/Index Name]
Acide 4-(1H-benzotriazol-1-yl)-2-(4-chlorophényl)-5-pyrimidinecarboxylique [French] [ACD/IUPAC 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: 506.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 260.2±32.9 °C
Index of Refraction: 1.763
Molar Refractivity: 93.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.57
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.24
Polar Surface Area: 94 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 66.7±7.0 dyne/cm
Molar Volume: 225.7±7.0 cm3

Click to predict properties on the Chemicalize site


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