ChemSpider 2D Image | 4-{[6-(4-fluorophenyl)pyridazin-3-yl]amino}benzoic acid | C17H12FN3O2

4-{[6-(4-fluorophenyl)pyridazin-3-yl]amino}benzoic acid

  • Molecular FormulaC17H12FN3O2
  • Average mass309.294 Da
  • Monoisotopic mass309.091370 Da
  • ChemSpider ID21800755

More details:

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

1119452-47-9 [RN]
4-{[6-(4-fluorophenyl)pyridazin-3-yl]amino}benzoic acid
4-((6-(4-fluorophenyl)pyridazin-3-yl)amino)benzoic acid
4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]benzoic acid
4-{[6-(4-Fluorophenyl)pyridazin-3-yl]-amino}benzoic acid
MFCD12027385 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 577.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 303.3±30.1 °C
Index of Refraction: 1.667
Molar Refractivity: 83.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 15.26
ACD/KOC (pH 5.5): 114.94
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.80
Polar Surface Area: 75 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 63.2±3.0 dyne/cm
Molar Volume: 223.9±3.0 cm3

Click to predict properties on the Chemicalize site


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