ChemSpider 2D Image | 3-[[6-(3-Methylphenyl)-3-pyridazinyl]amino]benzoic acid | C18H15N3O2

3-[[6-(3-Methylphenyl)-3-pyridazinyl]amino]benzoic acid

  • Molecular FormulaC18H15N3O2
  • Average mass305.331 Da
  • Monoisotopic mass305.116425 Da
  • ChemSpider ID21800753

More details:

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

1119451-53-4 [RN]
3-[[6-(3-Methylphenyl)-3-pyridazinyl]amino]benzoic acid
3-{[6-(3-Methylphenyl)-3-pyridazinyl]amino}benzoesäure [German] [ACD/IUPAC Name]
3-{[6-(3-Methylphenyl)-3-pyridazinyl]amino}benzoic acid [ACD/IUPAC Name]
3-{[6-(3-methylphenyl)pyridazin-3-yl]amino}benzoic acid
Acide 3-{[6-(3-méthylphényl)-3-pyridazinyl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[6-(3-methylphenyl)-3-pyridazinyl]amino]- [ACD/Index Name]
3-((6-(m-tolyl)pyridazin-3-yl)amino)benzoic acid
3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid
3-{[6-(3-Methylphenyl)pyridazin-3-yl]-amino}benzoic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 580.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 304.6±30.1 °C
Index of Refraction: 1.670
Molar Refractivity: 88.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 19.29
ACD/KOC (pH 5.5): 121.37
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.60
Polar Surface Area: 75 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 61.9±3.0 dyne/cm
Molar Volume: 236.0±3.0 cm3

Click to predict properties on the Chemicalize site


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